(4-chlorophenyl) 2-chloro-2-phenylacetate

C14H10Cl2O2 — CID 139902488

IUPAC(4-chlorophenyl) 2-chloro-2-phenylacetate
SMILESO=C(Oc1ccc(Cl)cc1)C(Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O2/c15-11-6-8-12(9-7-11)18-14(17)13(16)10-4-2-1-3-5-10/h1-9,13H
InChIKeyYRTOOVIOMZHHGB-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.23
Rot. Bonds3

About (4-chlorophenyl) 2-chloro-2-phenylacetate

(4-chlorophenyl) 2-chloro-2-phenylacetate (PubChem CID 139902488) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is (4-chlorophenyl) 2-chloro-2-phenylacetate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-chloro-2-phenylacetate
PubChem CID139902488
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name(4-chlorophenyl) 2-chloro-2-phenylacetate
SMILESO=C(Oc1ccc(Cl)cc1)C(Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O2/c15-11-6-8-12(9-7-11)18-14(17)13(16)10-4-2-1-3-5-10/h1-9,13H
InChIKeyYRTOOVIOMZHHGB-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-bromo-2-chloroacetate
CID 174609883
phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
CID 150624704
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
(4-chlorophenyl) 2,3-dihydroxypropanoate
CID 23616443
bis(4-chlorophenyl) 2-(4-methoxyphenyl)propanedioate
CID 142461311
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
CID 151410924
(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
CID 887463
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-chloro-2-phenylacetate?
The IUPAC name of (4-chlorophenyl) 2-chloro-2-phenylacetate (CID 139902488) is (4-chlorophenyl) 2-chloro-2-phenylacetate.
What is the SMILES notation for (4-chlorophenyl) 2-chloro-2-phenylacetate?
The canonical SMILES for (4-chlorophenyl) 2-chloro-2-phenylacetate is O=C(Oc1ccc(Cl)cc1)C(Cl)c1ccccc1.
What is the InChIKey of (4-chlorophenyl) 2-chloro-2-phenylacetate?
The InChIKey is YRTOOVIOMZHHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-11-6-8-12(9-7-11)18-14(17)13(16)10-4-2-1-3-5-10/h1-9,13H.
What are the key properties of (4-chlorophenyl) 2-chloro-2-phenylacetate?
(4-chlorophenyl) 2-chloro-2-phenylacetate has a molecular weight of 281.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-chloro-2-phenylacetate is sourced from PubChem (CID 139902488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).