(2-chlorophenyl) 2,4-dimethoxybenzoate

C15H13ClO4 — CID 2366254

IUPAC(2-chlorophenyl) 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C15H13ClO4/c1-18-10-7-8-11(14(9-10)19-2)15(17)20-13-6-4-3-5-12(13)16/h3-9H,1-2H3
InChIKeyUSHOKAFRMIYXAE-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.58
Rot. Bonds4

About (2-chlorophenyl) 2,4-dimethoxybenzoate

(2-chlorophenyl) 2,4-dimethoxybenzoate (PubChem CID 2366254) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is (2-chlorophenyl) 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2-chlorophenyl) 2,4-dimethoxybenzoate
PubChem CID2366254
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name(2-chlorophenyl) 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C15H13ClO4/c1-18-10-7-8-11(14(9-10)19-2)15(17)20-13-6-4-3-5-12(13)16/h3-9H,1-2H3
InChIKeyUSHOKAFRMIYXAE-UHFFFAOYSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
(2-chlorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 2990698
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
CID 8778433
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3558717
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2,4-dimethoxybenzoate?
The IUPAC name of (2-chlorophenyl) 2,4-dimethoxybenzoate (CID 2366254) is (2-chlorophenyl) 2,4-dimethoxybenzoate.
What is the SMILES notation for (2-chlorophenyl) 2,4-dimethoxybenzoate?
The canonical SMILES for (2-chlorophenyl) 2,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccccc2Cl)c(OC)c1.
What is the InChIKey of (2-chlorophenyl) 2,4-dimethoxybenzoate?
The InChIKey is USHOKAFRMIYXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-18-10-7-8-11(14(9-10)19-2)15(17)20-13-6-4-3-5-12(13)16/h3-9H,1-2H3.
What are the key properties of (2-chlorophenyl) 2,4-dimethoxybenzoate?
(2-chlorophenyl) 2,4-dimethoxybenzoate has a molecular weight of 292.72 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2,4-dimethoxybenzoate is sourced from PubChem (CID 2366254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).