4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol

C10H11ClO3 — CID 105425981

IUPAC4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol
SMILESOCC1(c2cc(O)c(O)cc2Cl)CC1
InChIInChI=1S/C10H11ClO3/c11-7-4-9(14)8(13)3-6(7)10(5-12)1-2-10/h3-4,12-14H,1-2,5H2
InChIKeyQJRQALYFYUDSES-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.78
Rot. Bonds2

About 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol

4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol (PubChem CID 105425981) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol
PubChem CID105425981
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol
SMILESOCC1(c2cc(O)c(O)cc2Cl)CC1
InChIInChI=1S/C10H11ClO3/c11-7-4-9(14)8(13)3-6(7)10(5-12)1-2-10/h3-4,12-14H,1-2,5H2
InChIKeyQJRQALYFYUDSES-UHFFFAOYSA-N
XLogP1.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol?
The IUPAC name of 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol (CID 105425981) is 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol.
What is the SMILES notation for 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol?
The canonical SMILES for 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol is OCC1(c2cc(O)c(O)cc2Cl)CC1.
What is the InChIKey of 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol?
The InChIKey is QJRQALYFYUDSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-7-4-9(14)8(13)3-6(7)10(5-12)1-2-10/h3-4,12-14H,1-2,5H2.
What are the key properties of 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol?
4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol has a molecular weight of 214.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol is sourced from PubChem (CID 105425981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).