methyl 3-chloro-5-ethoxy-4-hydroxybenzoate

C10H11ClO4 — CID 83953268

IUPACmethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(Cl)c1O
InChIInChI=1S/C10H11ClO4/c1-3-15-8-5-6(10(13)14-2)4-7(11)9(8)12/h4-5,12H,3H2,1-2H3
InChIKeyNRRMPCNPBMGWMK-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.23
Rot. Bonds3

About methyl 3-chloro-5-ethoxy-4-hydroxybenzoate

methyl 3-chloro-5-ethoxy-4-hydroxybenzoate (PubChem CID 83953268) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 3-chloro-5-ethoxy-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
PubChem CID83953268
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Namemethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(Cl)c1O
InChIInChI=1S/C10H11ClO4/c1-3-15-8-5-6(10(13)14-2)4-7(11)9(8)12/h4-5,12H,3H2,1-2H3
InChIKeyNRRMPCNPBMGWMK-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-chloro-5-ethoxy-4-hydroxybenzoate 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

methyl 3-ethoxy-4-hydroxy-5-iodobenzoate
CID 90422929
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359099
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358999
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359100
3-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 67488577
4-amino-2-chloro-6-ethoxyphenol
CID 86120469
(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359071
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
[2-(3-acetamidoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358995

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The IUPAC name of methyl 3-chloro-5-ethoxy-4-hydroxybenzoate (CID 83953268) is methyl 3-chloro-5-ethoxy-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The canonical SMILES for methyl 3-chloro-5-ethoxy-4-hydroxybenzoate is CCOc1cc(C(=O)OC)cc(Cl)c1O.
What is the InChIKey of methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The InChIKey is NRRMPCNPBMGWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-3-15-8-5-6(10(13)14-2)4-7(11)9(8)12/h4-5,12H,3H2,1-2H3.
What are the key properties of methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate has a molecular weight of 230.65 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-ethoxy-4-hydroxybenzoate is sourced from PubChem (CID 83953268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).