4-chloro-5-methoxybenzene-1,3-diol

C7H7ClO3 — CID 130033872

IUPAC4-chloro-5-methoxybenzene-1,3-diol
SMILESCOc1cc(O)cc(O)c1Cl
InChIInChI=1S/C7H7ClO3/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3,9-10H,1H3
InChIKeyRIUKXKQJCWIJFF-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.76
Rot. Bonds1

About 4-chloro-5-methoxybenzene-1,3-diol

4-chloro-5-methoxybenzene-1,3-diol (PubChem CID 130033872) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 4-chloro-5-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-5-methoxybenzene-1,3-diol
PubChem CID130033872
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name4-chloro-5-methoxybenzene-1,3-diol
SMILESCOc1cc(O)cc(O)c1Cl
InChIInChI=1S/C7H7ClO3/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3,9-10H,1H3
InChIKeyRIUKXKQJCWIJFF-UHFFFAOYSA-N
XLogP1.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-methoxybenzene-1,3-diol 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

3-amino-4-chloro-5-methoxyphenol
CID 118029335
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
CID 84785748
2-chloro-3-methoxy-5-(methylaminomethyl)phenol
CID 84776504
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
4-bromo-3,5-dimethoxyphenol
CID 14339099
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
CID 84791834
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
2-chloro-5-methoxy-3-methylphenol
CID 144544904
2-chloro-6,8-dihydroxy-3-methoxy-1-methylxanthen-9-one
CID 14992078
3-(4-chloro-3-hydroxy-5-methoxyphenyl)-2-methylpropanoic acid
CID 84802661

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxybenzene-1,3-diol?
The IUPAC name of 4-chloro-5-methoxybenzene-1,3-diol (CID 130033872) is 4-chloro-5-methoxybenzene-1,3-diol.
What is the SMILES notation for 4-chloro-5-methoxybenzene-1,3-diol?
The canonical SMILES for 4-chloro-5-methoxybenzene-1,3-diol is COc1cc(O)cc(O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxybenzene-1,3-diol?
The InChIKey is RIUKXKQJCWIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3,9-10H,1H3.
What are the key properties of 4-chloro-5-methoxybenzene-1,3-diol?
4-chloro-5-methoxybenzene-1,3-diol has a molecular weight of 174.58 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxybenzene-1,3-diol is sourced from PubChem (CID 130033872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).