4a,5,8,8a-tetrahydronaphthalen-1-ol

C10H12O — CID 19105445

IUPAC4a,5,8,8a-tetrahydronaphthalen-1-ol
SMILESOC1=CC=CC2CC=CCC12
InChIInChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7-9,11H,4,6H2
InChIKeyCRKBRKMOEOHLHT-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.58
Rot. Bonds

About 4a,5,8,8a-tetrahydronaphthalen-1-ol

4a,5,8,8a-tetrahydronaphthalen-1-ol (PubChem CID 19105445) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4a,5,8,8a-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4a,5,8,8a-tetrahydronaphthalen-1-ol
PubChem CID19105445
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4a,5,8,8a-tetrahydronaphthalen-1-ol
SMILESOC1=CC=CC2CC=CCC12
InChIInChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7-9,11H,4,6H2
InChIKeyCRKBRKMOEOHLHT-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4a,5,8,8a-tetrahydronaphthalen-1-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 4a,5,8,8a-tetrahydronaphthalen-1-ol?
The IUPAC name of 4a,5,8,8a-tetrahydronaphthalen-1-ol (CID 19105445) is 4a,5,8,8a-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4a,5,8,8a-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4a,5,8,8a-tetrahydronaphthalen-1-ol is OC1=CC=CC2CC=CCC12.
What is the InChIKey of 4a,5,8,8a-tetrahydronaphthalen-1-ol?
The InChIKey is CRKBRKMOEOHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7-9,11H,4,6H2.
What are the key properties of 4a,5,8,8a-tetrahydronaphthalen-1-ol?
4a,5,8,8a-tetrahydronaphthalen-1-ol has a molecular weight of 148.20 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,8,8a-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 19105445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).