(4-phenylphenyl)methyl 2-chlorobenzoate

C20H15ClO2 — CID 7866502

IUPAC(4-phenylphenyl)methyl 2-chlorobenzoate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H15ClO2/c21-19-9-5-4-8-18(19)20(22)23-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyFVGMBBOOJBTJNA-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.36
Rot. Bonds4

About (4-phenylphenyl)methyl 2-chlorobenzoate

(4-phenylphenyl)methyl 2-chlorobenzoate (PubChem CID 7866502) has the molecular formula C20H15ClO2 and a molecular weight of 322.79 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-chlorobenzoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-chlorobenzoate
PubChem CID7866502
Molecular FormulaC20H15ClO2
Molecular Weight322.79 g/mol
Exact Mass322.08
IUPAC Name(4-phenylphenyl)methyl 2-chlorobenzoate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H15ClO2/c21-19-9-5-4-8-18(19)20(22)23-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2
InChIKeyFVGMBBOOJBTJNA-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(4-phenylphenyl)methyl 2,3-dimethylbenzoate
CID 7765271
(4-phenylphenyl)methyl 5-chloro-2-methoxybenzoate
CID 7235683
(4-phenylphenyl)methyl carbamate
CID 123751479
(4-phenylphenyl)methyl 6-chloropyridine-3-carboxylate
CID 18225999
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-chlorobenzoate?
The IUPAC name of (4-phenylphenyl)methyl 2-chlorobenzoate (CID 7866502) is (4-phenylphenyl)methyl 2-chlorobenzoate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-chlorobenzoate?
The canonical SMILES for (4-phenylphenyl)methyl 2-chlorobenzoate is O=C(OCc1ccc(-c2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of (4-phenylphenyl)methyl 2-chlorobenzoate?
The InChIKey is FVGMBBOOJBTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO2/c21-19-9-5-4-8-18(19)20(22)23-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13H,14H2.
What are the key properties of (4-phenylphenyl)methyl 2-chlorobenzoate?
(4-phenylphenyl)methyl 2-chlorobenzoate has a molecular weight of 322.79 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-chlorobenzoate is sourced from PubChem (CID 7866502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).