(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate

C17H17ClO3 — CID 58373857

IUPAC(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate
SMILESCOc1ccc(COC(=O)c2ccc(C)c(C)c2Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-11-4-9-15(16(18)12(11)2)17(19)21-10-13-5-7-14(20-3)8-6-13/h4-9H,10H2,1-3H3
InChIKeyVIFMKGGKZSBOCP-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.32
Rot. Bonds4

About (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate

(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate (PubChem CID 58373857) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate
PubChem CID58373857
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate
SMILESCOc1ccc(COC(=O)c2ccc(C)c(C)c2Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-11-4-9-15(16(18)12(11)2)17(19)21-10-13-5-7-14(20-3)8-6-13/h4-9H,10H2,1-3H3
InChIKeyVIFMKGGKZSBOCP-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate 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

(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
2-chloro-3,4-dimethylbenzoyl chloride
CID 173294556
(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
CID 61303104
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700445
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate (CID 58373857) is (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate is COc1ccc(COC(=O)c2ccc(C)c(C)c2Cl)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate?
The InChIKey is VIFMKGGKZSBOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-4-9-15(16(18)12(11)2)17(19)21-10-13-5-7-14(20-3)8-6-13/h4-9H,10H2,1-3H3.
What are the key properties of (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate?
(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate has a molecular weight of 304.77 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate is sourced from PubChem (CID 58373857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).