(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate

C16H15ClO5 — CID 26100957

IUPAC(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1ccccc1OC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C16H15ClO5/c1-19-12-6-4-5-7-13(12)22-16(18)10-8-11(17)15(21-3)14(9-10)20-2/h4-9H,1-3H3
InChIKeyXYSNGTUUTMFGSB-UHFFFAOYSA-N
MW322.74 g/mol
LogP3.59
Rot. Bonds5

About (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate

(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate (PubChem CID 26100957) has the molecular formula C16H15ClO5 and a molecular weight of 322.74 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
PubChem CID26100957
Molecular FormulaC16H15ClO5
Molecular Weight322.74 g/mol
Exact Mass322.06
IUPAC Name(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1ccccc1OC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C16H15ClO5/c1-19-12-6-4-5-7-13(12)22-16(18)10-8-11(17)15(21-3)14(9-10)20-2/h4-9H,1-3H3
InChIKeyXYSNGTUUTMFGSB-UHFFFAOYSA-N
XLogP3.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
CID 2242663
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-chloro-4,5-dimethoxybenzoate
CID 36832071
(5-fluoro-2-nitrophenyl) 3-chloro-4,5-dimethoxybenzoate
CID 55333701
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(2-nitrophenyl) 3,4,5-trimethoxybenzoate
CID 905326
[(1R)-1-(2-chlorophenyl)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362919
[(2R)-1-amino-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7362860
[(E)-3-phenylprop-2-enyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681322
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate (CID 26100957) is (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate is COc1ccccc1OC(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is XYSNGTUUTMFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO5/c1-19-12-6-4-5-7-13(12)22-16(18)10-8-11(17)15(21-3)14(9-10)20-2/h4-9H,1-3H3.
What are the key properties of (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate?
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 322.74 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 26100957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).