2-[3-(3-chlorophenyl)phenyl]acetate

C14H10ClO2- — CID 7022503

IUPAC2-[3-(3-chlorophenyl)phenyl]acetate
SMILESO=C([O-])Cc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)/p-1
InChIKeyYFDAOVVUFQOVHY-UHFFFAOYSA-M
MW245.69 g/mol
LogP2.30
Rot. Bonds3

About 2-[3-(3-chlorophenyl)phenyl]acetate

2-[3-(3-chlorophenyl)phenyl]acetate (PubChem CID 7022503) has the molecular formula C14H10ClO2- and a molecular weight of 245.69 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)phenyl]acetate.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)phenyl]acetate
PubChem CID7022503
Molecular FormulaC14H10ClO2-
Molecular Weight245.69 g/mol
Exact Mass245.04
IUPAC Name2-[3-(3-chlorophenyl)phenyl]acetate
SMILESO=C([O-])Cc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)/p-1
InChIKeyYFDAOVVUFQOVHY-UHFFFAOYSA-M
XLogP2.30
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
4-(3-chlorophenyl)benzoate
CID 7021697
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2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376
2-(3-chlorophenyl)acetate;[(1S)-1-phenylethyl]azanium
CID 139147195
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-(3-bromophenyl)acetate
CID 3608673
azanium 2-(3-methylphenyl)acetate
CID 141323779
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
4-(3-chlorophenyl)-2-fluorobenzoate
CID 86307091
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)phenyl]acetate?
The IUPAC name of 2-[3-(3-chlorophenyl)phenyl]acetate (CID 7022503) is 2-[3-(3-chlorophenyl)phenyl]acetate.
What is the SMILES notation for 2-[3-(3-chlorophenyl)phenyl]acetate?
The canonical SMILES for 2-[3-(3-chlorophenyl)phenyl]acetate is O=C([O-])Cc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)phenyl]acetate?
The InChIKey is YFDAOVVUFQOVHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)/p-1.
What are the key properties of 2-[3-(3-chlorophenyl)phenyl]acetate?
2-[3-(3-chlorophenyl)phenyl]acetate has a molecular weight of 245.69 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)phenyl]acetate is sourced from PubChem (CID 7022503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).