(2-chlorophenyl) 2-(4-chlorophenyl)acetate

C14H10Cl2O2 — CID 3431914

IUPAC(2-chlorophenyl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)Oc1ccccc1Cl
InChIInChI=1S/C14H10Cl2O2/c15-11-7-5-10(6-8-11)9-14(17)18-13-4-2-1-3-12(13)16/h1-8H,9H2
InChIKeyMJNJVPUOAKAPBH-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.14
Rot. Bonds3

About (2-chlorophenyl) 2-(4-chlorophenyl)acetate

(2-chlorophenyl) 2-(4-chlorophenyl)acetate (PubChem CID 3431914) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(4-chlorophenyl)acetate
PubChem CID3431914
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name(2-chlorophenyl) 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)Oc1ccccc1Cl
InChIInChI=1S/C14H10Cl2O2/c15-11-7-5-10(6-8-11)9-14(17)18-13-4-2-1-3-12(13)16/h1-8H,9H2
InChIKeyMJNJVPUOAKAPBH-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(4-chlorophenyl)methyl 2-(2-chlorophenoxy)acetate
CID 2378588
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2-chlorophenyl) 2-(5-chloro-3-methyl-2-benzothiophen-1-yl)acetate
CID 22294426
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991
[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium
CID 140708042
(2,4,5-trichlorophenyl) 2-(4-hydroxyphenyl)acetate
CID 15608392
(2-chlorophenyl) pent-4-enoate
CID 66826844
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(4-chlorophenyl)acetate?
The IUPAC name of (2-chlorophenyl) 2-(4-chlorophenyl)acetate (CID 3431914) is (2-chlorophenyl) 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (2-chlorophenyl) 2-(4-chlorophenyl)acetate?
The canonical SMILES for (2-chlorophenyl) 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 2-(4-chlorophenyl)acetate?
The InChIKey is MJNJVPUOAKAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-11-7-5-10(6-8-11)9-14(17)18-13-4-2-1-3-12(13)16/h1-8H,9H2.
What are the key properties of (2-chlorophenyl) 2-(4-chlorophenyl)acetate?
(2-chlorophenyl) 2-(4-chlorophenyl)acetate has a molecular weight of 281.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 3431914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).