8aH-chromen-3-ol

C9H8O2 — CID 18956385

IUPAC8aH-chromen-3-ol
SMILESOC1=COC2C=CC=CC2=C1
InChIInChI=1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6,9-10H
InChIKeyCNXYPUUAPXKSBM-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.84
Rot. Bonds

About 8aH-chromen-3-ol

8aH-chromen-3-ol (PubChem CID 18956385) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 8aH-chromen-3-ol.

Molecular Properties

Compound Name8aH-chromen-3-ol
PubChem CID18956385
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name8aH-chromen-3-ol
SMILESOC1=COC2C=CC=CC2=C1
InChIInChI=1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6,9-10H
InChIKeyCNXYPUUAPXKSBM-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8aH-chromen-3-ol 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 8aH-chromen-3-ol?
The IUPAC name of 8aH-chromen-3-ol (CID 18956385) is 8aH-chromen-3-ol.
What is the SMILES notation for 8aH-chromen-3-ol?
The canonical SMILES for 8aH-chromen-3-ol is OC1=COC2C=CC=CC2=C1.
What is the InChIKey of 8aH-chromen-3-ol?
The InChIKey is CNXYPUUAPXKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6,9-10H.
What are the key properties of 8aH-chromen-3-ol?
8aH-chromen-3-ol has a molecular weight of 148.16 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-chromen-3-ol is sourced from PubChem (CID 18956385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).