4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol

C11H13ClO3 — CID 117329541

IUPAC4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
SMILESCOc1cc(Cl)c(C)c(C2(O)CC2)c1O
InChIInChI=1S/C11H13ClO3/c1-6-7(12)5-8(15-2)10(13)9(6)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3
InChIKeyDPZAVDSZRMUYIO-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol

4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol (PubChem CID 117329541) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
PubChem CID117329541
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
SMILESCOc1cc(Cl)c(C)c(C2(O)CC2)c1O
InChIInChI=1S/C11H13ClO3/c1-6-7(12)5-8(15-2)10(13)9(6)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3
InChIKeyDPZAVDSZRMUYIO-UHFFFAOYSA-N
XLogP2.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol 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-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol?
The IUPAC name of 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol (CID 117329541) is 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol.
What is the SMILES notation for 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol?
The canonical SMILES for 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol is COc1cc(Cl)c(C)c(C2(O)CC2)c1O.
What is the InChIKey of 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol?
The InChIKey is DPZAVDSZRMUYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-6-7(12)5-8(15-2)10(13)9(6)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol?
4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol has a molecular weight of 228.67 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol is sourced from PubChem (CID 117329541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).