(4-chlorophenyl)methyl 2,4-dichlorobenzoate

C14H9Cl3O2 — CID 962047

IUPAC(4-chlorophenyl)methyl 2,4-dichlorobenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2
InChIKeyXOKPNOSIGMMLST-UHFFFAOYSA-N
MW315.58 g/mol
LogP5.00
Rot. Bonds3

About (4-chlorophenyl)methyl 2,4-dichlorobenzoate

(4-chlorophenyl)methyl 2,4-dichlorobenzoate (PubChem CID 962047) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2,4-dichlorobenzoate
PubChem CID962047
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Name(4-chlorophenyl)methyl 2,4-dichlorobenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2
InChIKeyXOKPNOSIGMMLST-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)methyl 2,4-dichlorobenzoate
CID 1218346
[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
CID 2953632
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(4-propan-2-ylphenyl)methyl 2-amino-4-chlorobenzoate
CID 60644459
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 883580
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
[1-(4-chlorophenyl)triazol-4-yl]methyl 2,4-dichlorobenzoate
CID 1475816
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2,4-dichlorobenzoate?
The IUPAC name of (4-chlorophenyl)methyl 2,4-dichlorobenzoate (CID 962047) is (4-chlorophenyl)methyl 2,4-dichlorobenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2,4-dichlorobenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 2,4-dichlorobenzoate is O=C(OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (4-chlorophenyl)methyl 2,4-dichlorobenzoate?
The InChIKey is XOKPNOSIGMMLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c15-10-3-1-9(2-4-10)8-19-14(18)12-6-5-11(16)7-13(12)17/h1-7H,8H2.
What are the key properties of (4-chlorophenyl)methyl 2,4-dichlorobenzoate?
(4-chlorophenyl)methyl 2,4-dichlorobenzoate has a molecular weight of 315.58 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2,4-dichlorobenzoate is sourced from PubChem (CID 962047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).