(4-chloro-2-methylphenyl) 4-phenylbenzoate

C20H15ClO2 — CID 4850627

IUPAC(4-chloro-2-methylphenyl) 4-phenylbenzoate
SMILESCc1cc(Cl)ccc1OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15ClO2/c1-14-13-18(21)11-12-19(14)23-20(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyZVRQKDHTSOPNJU-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.53
Rot. Bonds3

About (4-chloro-2-methylphenyl) 4-phenylbenzoate

(4-chloro-2-methylphenyl) 4-phenylbenzoate (PubChem CID 4850627) has the molecular formula C20H15ClO2 and a molecular weight of 322.79 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) 4-phenylbenzoate
PubChem CID4850627
Molecular FormulaC20H15ClO2
Molecular Weight322.79 g/mol
Exact Mass322.08
IUPAC Name(4-chloro-2-methylphenyl) 4-phenylbenzoate
SMILESCc1cc(Cl)ccc1OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15ClO2/c1-14-13-18(21)11-12-19(14)23-20(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyZVRQKDHTSOPNJU-UHFFFAOYSA-N
XLogP5.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chloro-2-methylphenyl) 4-phenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
(2,3-dimethylphenyl) 4-phenylbenzoate
CID 1228166
(4-chloro-2-methylphenyl) 4-methyl-3-nitrobenzoate
CID 19172641
(4-chloro-2-methylphenyl) 5-bromofuran-2-carboxylate
CID 1407236
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
(4-chloro-2-formylphenyl) 4-methylbenzoate
CID 4766937
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
(4-chloro-2-methylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 4812815
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
(2,4-dichlorophenyl) 4-[(2-hydroxy-5-phenylphenyl)iminomethyl]benzoate
CID 5216862
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7709757
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) 4-phenylbenzoate?
The IUPAC name of (4-chloro-2-methylphenyl) 4-phenylbenzoate (CID 4850627) is (4-chloro-2-methylphenyl) 4-phenylbenzoate.
What is the SMILES notation for (4-chloro-2-methylphenyl) 4-phenylbenzoate?
The canonical SMILES for (4-chloro-2-methylphenyl) 4-phenylbenzoate is Cc1cc(Cl)ccc1OC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-chloro-2-methylphenyl) 4-phenylbenzoate?
The InChIKey is ZVRQKDHTSOPNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO2/c1-14-13-18(21)11-12-19(14)23-20(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of (4-chloro-2-methylphenyl) 4-phenylbenzoate?
(4-chloro-2-methylphenyl) 4-phenylbenzoate has a molecular weight of 322.79 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) 4-phenylbenzoate is sourced from PubChem (CID 4850627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).