(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate

C15H12Cl2O2 — CID 144993627

IUPAC(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
SMILESCc1ccc(Cl)cc1CC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-10-5-6-13(17)7-11(10)8-15(18)19-14-4-2-3-12(16)9-14/h2-7,9H,8H2,1H3
InChIKeyAMXANWOALRSRSF-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.45
Rot. Bonds3

About (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate

(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate (PubChem CID 144993627) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate.

Molecular Properties

Compound Name(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
PubChem CID144993627
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
SMILESCc1ccc(Cl)cc1CC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-10-5-6-13(17)7-11(10)8-15(18)19-14-4-2-3-12(16)9-14/h2-7,9H,8H2,1H3
InChIKeyAMXANWOALRSRSF-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.45
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

(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
(3-chlorophenyl) 3-chloro-3-methylbutanoate
CID 15188066
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
1-O-(3-chlorophenyl) 5-O-(2-methylphenyl) pentanedioate
CID 91733443
(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
(3-chlorophenyl) 5-hydroxypentanoate
CID 174546388
(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
propyl 2-[2-(3-chlorophenoxy)-2-oxoethoxy]acetate
CID 91699344

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate?
The IUPAC name of (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate (CID 144993627) is (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate.
What is the SMILES notation for (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate?
The canonical SMILES for (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate is Cc1ccc(Cl)cc1CC(=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate?
The InChIKey is AMXANWOALRSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-10-5-6-13(17)7-11(10)8-15(18)19-14-4-2-3-12(16)9-14/h2-7,9H,8H2,1H3.
What are the key properties of (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate?
(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate has a molecular weight of 295.17 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate is sourced from PubChem (CID 144993627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).