[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone

C20H14Cl2O — CID 145471111

IUPAC[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H14Cl2O/c1-13-9-15(20(23)14-5-3-2-4-6-14)7-8-19(13)16-10-17(21)12-18(22)11-16/h2-12H,1H3
InChIKeyUGQARUJJHIPMKQ-UHFFFAOYSA-N
MW341.24 g/mol
LogP6.20
Rot. Bonds3

About [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone

[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone (PubChem CID 145471111) has the molecular formula C20H14Cl2O and a molecular weight of 341.24 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone
PubChem CID145471111
Molecular FormulaC20H14Cl2O
Molecular Weight341.24 g/mol
Exact Mass340.04
IUPAC Name[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H14Cl2O/c1-13-9-15(20(23)14-5-3-2-4-6-14)7-8-19(13)16-10-17(21)12-18(22)11-16/h2-12H,1H3
InChIKeyUGQARUJJHIPMKQ-UHFFFAOYSA-N
XLogP6.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]-phenylmethanone
CID 25030040
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(8-benzoylthianthren-2-yl)-phenylmethanone
CID 19906753
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
2-benzoyl-4-chloro-6-methylbenzonitrile
CID 166441428

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone?
The IUPAC name of [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone (CID 145471111) is [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone is Cc1cc(C(=O)c2ccccc2)ccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone?
The InChIKey is UGQARUJJHIPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O/c1-13-9-15(20(23)14-5-3-2-4-6-14)7-8-19(13)16-10-17(21)12-18(22)11-16/h2-12H,1H3.
What are the key properties of [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone?
[4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone has a molecular weight of 341.24 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)-3-methylphenyl]-phenylmethanone is sourced from PubChem (CID 145471111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).