[4-(2-chlorophenyl)phenyl]methyl acetate

C15H13ClO2 — CID 3066117

IUPAC[4-(2-chlorophenyl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-11(17)18-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16/h2-9H,10H2,1H3
InChIKeySIOKJCQSIHWEIS-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.07
Rot. Bonds3

About [4-(2-chlorophenyl)phenyl]methyl acetate

[4-(2-chlorophenyl)phenyl]methyl acetate (PubChem CID 3066117) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is [4-(2-chlorophenyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-(2-chlorophenyl)phenyl]methyl acetate
PubChem CID3066117
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name[4-(2-chlorophenyl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-11(17)18-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16/h2-9H,10H2,1H3
InChIKeySIOKJCQSIHWEIS-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
3-(2-Chlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)-furanone (3)
CID 129010584
(2S,3R)-2-(4-chlorophenyl)-3-methyl-2,3-dihydropyran-6-one
CID 16725269
4-(2-chlorophenyl)-3-(4-methylphenyl)-2H-furan-5-one
CID 145989414
(2,4-Dichlorophenyl)methyl acetate
CID 225826
1,1'-Biphenyl, 2-chloro-4'-(methoxymethyl)-
CID 3066107
1,1'-Biphenyl, 2-chloro-4'-(ethoxymethyl)-
CID 3066108
1,1'-Biphenyl, 4'-(butoxymethyl)-2-chloro-
CID 3066109
1,1'-Biphenyl, 3-chloro-4'-(ethoxymethyl)-
CID 3066124
1,1'-Biphenyl-4-carboxylic acid, 2'-chloro-, ethyl ester
CID 3068856
1,1'-Biphenyl-4-carboxylic acid, 2'-chloro-, 1-methylethyl ester
CID 3068857
[(1R)-1-(4-chlorophenyl)propyl] acetate
CID 11206641

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)phenyl]methyl acetate?
The IUPAC name of [4-(2-chlorophenyl)phenyl]methyl acetate (CID 3066117) is [4-(2-chlorophenyl)phenyl]methyl acetate.
What is the SMILES notation for [4-(2-chlorophenyl)phenyl]methyl acetate?
The canonical SMILES for [4-(2-chlorophenyl)phenyl]methyl acetate is CC(=O)OCc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of [4-(2-chlorophenyl)phenyl]methyl acetate?
The InChIKey is SIOKJCQSIHWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11(17)18-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16/h2-9H,10H2,1H3.
What are the key properties of [4-(2-chlorophenyl)phenyl]methyl acetate?
[4-(2-chlorophenyl)phenyl]methyl acetate has a molecular weight of 260.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)phenyl]methyl acetate is sourced from PubChem (CID 3066117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).