bis(3-benzyl-2-chlorophenyl)methanone

C27H20Cl2O — CID 141224767

IUPACbis(3-benzyl-2-chlorophenyl)methanone
SMILESO=C(c1cccc(Cc2ccccc2)c1Cl)c1cccc(Cc2ccccc2)c1Cl
InChIInChI=1S/C27H20Cl2O/c28-25-21(17-19-9-3-1-4-10-19)13-7-15-23(25)27(30)24-16-8-14-22(26(24)29)18-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyZPVDAFPJSRKZAR-UHFFFAOYSA-N
MW431.36 g/mol
LogP7.41
Rot. Bonds6

About bis(3-benzyl-2-chlorophenyl)methanone

bis(3-benzyl-2-chlorophenyl)methanone (PubChem CID 141224767) has the molecular formula C27H20Cl2O and a molecular weight of 431.36 g/mol. Its IUPAC name is bis(3-benzyl-2-chlorophenyl)methanone.

Molecular Properties

Compound Namebis(3-benzyl-2-chlorophenyl)methanone
PubChem CID141224767
Molecular FormulaC27H20Cl2O
Molecular Weight431.36 g/mol
Exact Mass430.09
IUPAC Namebis(3-benzyl-2-chlorophenyl)methanone
SMILESO=C(c1cccc(Cc2ccccc2)c1Cl)c1cccc(Cc2ccccc2)c1Cl
InChIInChI=1S/C27H20Cl2O/c28-25-21(17-19-9-3-1-4-10-19)13-7-15-23(25)27(30)24-16-8-14-22(26(24)29)18-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyZPVDAFPJSRKZAR-UHFFFAOYSA-N
XLogP7.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-benzyl-2-chloro-3-methylbenzene;isocyanic acid
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(2-benzylphenyl)-(4-bromophenyl)methanone
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3-benzyl-2-(2-chloroanilino)benzoic acid
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2-benzylbenzenecarbothioyl chloride
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4-benzyl-2,3-dichlorophenol
CID 141169033
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414
ethyl 4-benzyl-2,3-dichlorobenzoate
CID 70381316
(2-benzylphenyl)-thiophen-3-ylmethanone
CID 125474100

Frequently Asked Questions

What is the IUPAC name of bis(3-benzyl-2-chlorophenyl)methanone?
The IUPAC name of bis(3-benzyl-2-chlorophenyl)methanone (CID 141224767) is bis(3-benzyl-2-chlorophenyl)methanone.
What is the SMILES notation for bis(3-benzyl-2-chlorophenyl)methanone?
The canonical SMILES for bis(3-benzyl-2-chlorophenyl)methanone is O=C(c1cccc(Cc2ccccc2)c1Cl)c1cccc(Cc2ccccc2)c1Cl.
What is the InChIKey of bis(3-benzyl-2-chlorophenyl)methanone?
The InChIKey is ZPVDAFPJSRKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2O/c28-25-21(17-19-9-3-1-4-10-19)13-7-15-23(25)27(30)24-16-8-14-22(26(24)29)18-20-11-5-2-6-12-20/h1-16H,17-18H2.
What are the key properties of bis(3-benzyl-2-chlorophenyl)methanone?
bis(3-benzyl-2-chlorophenyl)methanone has a molecular weight of 431.36 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-benzyl-2-chlorophenyl)methanone is sourced from PubChem (CID 141224767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).