4H-chromen-4-ol;hydrochloride

C9H9ClO2 — CID 70045554

IUPAC4H-chromen-4-ol;hydrochloride
SMILESCl.OC1C=COc2ccccc21
InChIInChI=1S/C9H8O2.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6,8,10H;1H
InChIKeyPPSNPHVWBLDHID-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.05
Rot. Bonds

About 4H-chromen-4-ol;hydrochloride

4H-chromen-4-ol;hydrochloride (PubChem CID 70045554) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 4H-chromen-4-ol;hydrochloride.

Molecular Properties

Compound Name4H-chromen-4-ol;hydrochloride
PubChem CID70045554
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name4H-chromen-4-ol;hydrochloride
SMILESCl.OC1C=COc2ccccc21
InChIInChI=1S/C9H8O2.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6,8,10H;1H
InChIKeyPPSNPHVWBLDHID-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4H-chromen-4-ol;hydrochloride 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 4H-chromen-4-ol;hydrochloride?
The IUPAC name of 4H-chromen-4-ol;hydrochloride (CID 70045554) is 4H-chromen-4-ol;hydrochloride.
What is the SMILES notation for 4H-chromen-4-ol;hydrochloride?
The canonical SMILES for 4H-chromen-4-ol;hydrochloride is Cl.OC1C=COc2ccccc21.
What is the InChIKey of 4H-chromen-4-ol;hydrochloride?
The InChIKey is PPSNPHVWBLDHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6,8,10H;1H.
What are the key properties of 4H-chromen-4-ol;hydrochloride?
4H-chromen-4-ol;hydrochloride has a molecular weight of 184.62 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromen-4-ol;hydrochloride is sourced from PubChem (CID 70045554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).