1,4,5,8-tetrahydronaphthalen-2-ol

C10H12O — CID 171905891

IUPAC1,4,5,8-tetrahydronaphthalen-2-ol
SMILESOC1=CCC2=C(CC=CC2)C1
InChIInChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,6,11H,3-5,7H2
InChIKeyRAWMFZVICQZPAS-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.87
Rot. Bonds

About 1,4,5,8-tetrahydronaphthalen-2-ol

1,4,5,8-tetrahydronaphthalen-2-ol (PubChem CID 171905891) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,4,5,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1,4,5,8-tetrahydronaphthalen-2-ol
PubChem CID171905891
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name1,4,5,8-tetrahydronaphthalen-2-ol
SMILESOC1=CCC2=C(CC=CC2)C1
InChIInChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,6,11H,3-5,7H2
InChIKeyRAWMFZVICQZPAS-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1,4,5,8-tetrahydronaphthalen-2-ol (CID 171905891) is 1,4,5,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1,4,5,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1,4,5,8-tetrahydronaphthalen-2-ol is OC1=CCC2=C(CC=CC2)C1.
What is the InChIKey of 1,4,5,8-tetrahydronaphthalen-2-ol?
The InChIKey is RAWMFZVICQZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,6,11H,3-5,7H2.
What are the key properties of 1,4,5,8-tetrahydronaphthalen-2-ol?
1,4,5,8-tetrahydronaphthalen-2-ol has a molecular weight of 148.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 171905891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).