(2-chloro-3-phenylphenyl) acetate

C14H11ClO2 — CID 54501671

IUPAC(2-chloro-3-phenylphenyl) acetate
SMILESCC(=O)Oc1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C14H11ClO2/c1-10(16)17-13-9-5-8-12(14(13)15)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyDEMUEKZOUJBJJL-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.93
Rot. Bonds2

About (2-chloro-3-phenylphenyl) acetate

(2-chloro-3-phenylphenyl) acetate (PubChem CID 54501671) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is (2-chloro-3-phenylphenyl) acetate.

Molecular Properties

Compound Name(2-chloro-3-phenylphenyl) acetate
PubChem CID54501671
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name(2-chloro-3-phenylphenyl) acetate
SMILESCC(=O)Oc1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C14H11ClO2/c1-10(16)17-13-9-5-8-12(14(13)15)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyDEMUEKZOUJBJJL-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.93
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

(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate
CID 88746551
(3-acetyloxy-2-chloro-4-phenylphenyl) acetate
CID 139930381
(3-phenyl-2-propan-2-ylphenyl) acetate
CID 69300193
calcium;acetic acid;1,2-dichloro-3-phenylbenzene;hydride
CID 174904130
(2,4-diphenylphenyl) acetate
CID 57057849
[2-(4-aminophenyl)phenyl] acetate
CID 68788383
acetic acid;benzene;1,2-dichloro-3-phenylbenzene;ethenyl acetate
CID 174824248
1,2-dichloro-3-phenylbenzene;prop-2-enyl acetate
CID 175275718
(2-chloro-3-nitrophenyl) acetate
CID 70379964
acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
CID 174506866
(4-hydroxy-2-methyl-5-phenylphenyl) acetate
CID 10728858
2,6-diacetyloxybenzoic acid
CID 10007406

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-phenylphenyl) acetate?
The IUPAC name of (2-chloro-3-phenylphenyl) acetate (CID 54501671) is (2-chloro-3-phenylphenyl) acetate.
What is the SMILES notation for (2-chloro-3-phenylphenyl) acetate?
The canonical SMILES for (2-chloro-3-phenylphenyl) acetate is CC(=O)Oc1cccc(-c2ccccc2)c1Cl.
What is the InChIKey of (2-chloro-3-phenylphenyl) acetate?
The InChIKey is DEMUEKZOUJBJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-10(16)17-13-9-5-8-12(14(13)15)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of (2-chloro-3-phenylphenyl) acetate?
(2-chloro-3-phenylphenyl) acetate has a molecular weight of 246.69 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-phenylphenyl) acetate is sourced from PubChem (CID 54501671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).