(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate

C22H19ClO2 — CID 22994708

IUPAC(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate
SMILESCC(C)(c1ccccc1)c1ccc(C(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClO2/c1-22(2,17-8-4-3-5-9-17)18-14-12-16(13-15-18)21(24)25-20-11-7-6-10-19(20)23/h3-15H,1-2H3
InChIKeyKSKUMPDJOHVSHU-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.89
Rot. Bonds4

About (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate

(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate (PubChem CID 22994708) has the molecular formula C22H19ClO2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate
PubChem CID22994708
Molecular FormulaC22H19ClO2
Molecular Weight350.85 g/mol
Exact Mass350.11
IUPAC Name(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate
SMILESCC(C)(c1ccccc1)c1ccc(C(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClO2/c1-22(2,17-8-4-3-5-9-17)18-14-12-16(13-15-18)21(24)25-20-11-7-6-10-19(20)23/h3-15H,1-2H3
InChIKeyKSKUMPDJOHVSHU-UHFFFAOYSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate 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-chlorophenyl) 4-ethylbenzoate
CID 583746
(2-chlorophenyl) 4-bromobenzoate
CID 530842
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(2,3-dichlorophenyl) 4-(trifluoromethyl)benzoate
CID 91726267
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
(2-chlorophenyl) 4-(methylsulfonylmethyl)benzoate
CID 26096675
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] benzoate
CID 22959507
(2,3-dichlorophenyl) 4-ethylbenzoate
CID 91714670
phenyl 4-tert-butylbenzoate
CID 733785
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate?
The IUPAC name of (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate (CID 22994708) is (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate.
What is the SMILES notation for (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate?
The canonical SMILES for (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate is CC(C)(c1ccccc1)c1ccc(C(=O)Oc2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate?
The InChIKey is KSKUMPDJOHVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO2/c1-22(2,17-8-4-3-5-9-17)18-14-12-16(13-15-18)21(24)25-20-11-7-6-10-19(20)23/h3-15H,1-2H3.
What are the key properties of (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate?
(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate has a molecular weight of 350.85 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate is sourced from PubChem (CID 22994708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).