ethyl 4-methoxybenzoate;hydrochloride

C10H13ClO3 — CID 143432301

IUPACethyl 4-methoxybenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C10H12O3.ClH/c1-3-13-10(11)8-4-6-9(12-2)7-5-8;/h4-7H,3H2,1-2H3;1H
InChIKeyZZFFHTCRJUIDJT-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.29
Rot. Bonds3

About ethyl 4-methoxybenzoate;hydrochloride

ethyl 4-methoxybenzoate;hydrochloride (PubChem CID 143432301) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is ethyl 4-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-methoxybenzoate;hydrochloride
PubChem CID143432301
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Nameethyl 4-methoxybenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C10H12O3.ClH/c1-3-13-10(11)8-4-6-9(12-2)7-5-8;/h4-7H,3H2,1-2H3;1H
InChIKeyZZFFHTCRJUIDJT-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-methoxybenzoate;hydrochloride 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

2,3-diethylbutanedioic acid;ethyl 4-methoxybenzoate
CID 175299226
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
N-(4-ethoxycarbonylphenyl)-1-(4-methoxyphenyl)methanimine oxide
CID 14450679
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
bis(4-ethoxycarbonylphenyl) (Z)-but-2-enedioate
CID 58764671
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxybenzoate;hydrochloride?
The IUPAC name of ethyl 4-methoxybenzoate;hydrochloride (CID 143432301) is ethyl 4-methoxybenzoate;hydrochloride.
What is the SMILES notation for ethyl 4-methoxybenzoate;hydrochloride?
The canonical SMILES for ethyl 4-methoxybenzoate;hydrochloride is CCOC(=O)c1ccc(OC)cc1.Cl.
What is the InChIKey of ethyl 4-methoxybenzoate;hydrochloride?
The InChIKey is ZZFFHTCRJUIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.ClH/c1-3-13-10(11)8-4-6-9(12-2)7-5-8;/h4-7H,3H2,1-2H3;1H.
What are the key properties of ethyl 4-methoxybenzoate;hydrochloride?
ethyl 4-methoxybenzoate;hydrochloride has a molecular weight of 216.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxybenzoate;hydrochloride is sourced from PubChem (CID 143432301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).