bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone

C176H174F6O3S3 — CID 160659617

IUPACbis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)c2cccc(C)c2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2cccc(C)c2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2cccc(C)c2)cc1.Cc1cccc(C(F)(F)c2cccc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(Sc2cccc(C)c2)c1
InChIInChI=1S/3C15H14F2.2C15H14O.3C15H16.C14H14O.3C14H14S/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16,17)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15(16,17)14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h3*3-10H,1-2H3;2*3-10H,1-2H3;3*3-10H,11H2,1-2H3;4*3-10H,1-2H3
InChIKeyRLMQUSZSNNVCGQ-UHFFFAOYSA-N
MW2547.51 g/mol
LogP49.54
Rot. Bonds24

About bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone

bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone (PubChem CID 160659617) has the molecular formula C176H174F6O3S3 and a molecular weight of 2547.51 g/mol. Its IUPAC name is bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Namebis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone
PubChem CID160659617
Molecular FormulaC176H174F6O3S3
Molecular Weight2547.51 g/mol
Exact Mass2545.25
IUPAC Namebis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)c2cccc(C)c2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2cccc(C)c2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2cccc(C)c2)cc1.Cc1cccc(C(F)(F)c2cccc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(Sc2cccc(C)c2)c1
InChIInChI=1S/3C15H14F2.2C15H14O.3C15H16.C14H14O.3C14H14S/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16,17)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15(16,17)14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h3*3-10H,1-2H3;2*3-10H,1-2H3;3*3-10H,11H2,1-2H3;4*3-10H,1-2H3
InChIKeyRLMQUSZSNNVCGQ-UHFFFAOYSA-N
XLogP49.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002547.51
LogP ≤ 549.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone with MolForge

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Related Compounds

bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;(3-methylphenyl)-(4-methylphenyl)methanone
CID 160711878
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene
CID 159663395
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 164975954
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene
CID 162131961
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone?
The IUPAC name of bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone (CID 160659617) is bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(C(F)(F)c2cccc(C)c2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2cccc(C)c2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2cccc(C)c2)cc1.Cc1cccc(C(F)(F)c2cccc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(Sc2cccc(C)c2)c1.
What is the InChIKey of bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone?
The InChIKey is RLMQUSZSNNVCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H14F2.2C15H14O.3C15H16.C14H14O.3C14H14S/c1-11-3-7-13(8-4-11)15(16,17)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16,17)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15(16,17)14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14/h3*3-10H,1-2H3;2*3-10H,1-2H3;3*3-10H,11H2,1-2H3;4*3-10H,1-2H3.
What are the key properties of bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone?
bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone has a molecular weight of 2547.51 g/mol, XLogP of 49.54, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 160659617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).