CID 70870278

C22H18BO — CID 70870278

IUPAC—
SMILES[B]=C(c1ccc(C)cc1)c1cccc(C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H18BO/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKeyNXPMKBKFJAGGRY-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.27
Rot. Bonds4

About CID 70870278

CID 70870278 (PubChem CID 70870278) has the molecular formula C22H18BO and a molecular weight of 309.20 g/mol.

Molecular Properties

Compound NameCID 70870278
PubChem CID70870278
Molecular FormulaC22H18BO
Molecular Weight309.20 g/mol
Exact Mass309.15
IUPAC Name—
SMILES[B]=C(c1ccc(C)cc1)c1cccc(C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H18BO/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKeyNXPMKBKFJAGGRY-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
bis(3-methylphenyl)methanone
CID 17848
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
CID 142829592
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621

Frequently Asked Questions

What is the IUPAC name of CID 70870278?
The IUPAC name of CID 70870278 (CID 70870278) is not available.
What is the SMILES notation for CID 70870278?
The canonical SMILES for CID 70870278 is [B]=C(c1ccc(C)cc1)c1cccc(C(=O)c2ccc(C)cc2)c1.
What is the InChIKey of CID 70870278?
The InChIKey is NXPMKBKFJAGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BO/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-14H,1-2H3.
What are the key properties of CID 70870278?
CID 70870278 has a molecular weight of 309.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70870278 is sourced from PubChem (CID 70870278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).