(4-chloro-3-methylphenyl) 2-phenylacetate

C15H13ClO2 — CID 962569

IUPAC(4-chloro-3-methylphenyl) 2-phenylacetate
SMILESCc1cc(OC(=O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-11-9-13(7-8-14(11)16)18-15(17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyNORDSLORQVYCBO-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.80
Rot. Bonds3

About (4-chloro-3-methylphenyl) 2-phenylacetate

(4-chloro-3-methylphenyl) 2-phenylacetate (PubChem CID 962569) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl) 2-phenylacetate
PubChem CID962569
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(4-chloro-3-methylphenyl) 2-phenylacetate
SMILESCc1cc(OC(=O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-11-9-13(7-8-14(11)16)18-15(17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyNORDSLORQVYCBO-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
(3-tert-butyl-4-hydroxyphenyl) 2-phenylacetate
CID 836845
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
phenyl 2-phenylacetate;zinc
CID 70522084
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993
(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221088
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
(4-chloro-3-methylphenyl) 2-(2,4-dimethylphenoxy)acetate
CID 19179310

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl) 2-phenylacetate?
The IUPAC name of (4-chloro-3-methylphenyl) 2-phenylacetate (CID 962569) is (4-chloro-3-methylphenyl) 2-phenylacetate.
What is the SMILES notation for (4-chloro-3-methylphenyl) 2-phenylacetate?
The canonical SMILES for (4-chloro-3-methylphenyl) 2-phenylacetate is Cc1cc(OC(=O)Cc2ccccc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl) 2-phenylacetate?
The InChIKey is NORDSLORQVYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-9-13(7-8-14(11)16)18-15(17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl) 2-phenylacetate?
(4-chloro-3-methylphenyl) 2-phenylacetate has a molecular weight of 260.72 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl) 2-phenylacetate is sourced from PubChem (CID 962569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).