1,4,5,6-tetrahydrochrysen-6-ol

C18H16O — CID 174823835

IUPAC1,4,5,6-tetrahydrochrysen-6-ol
SMILESOC1Cc2c(ccc3c2CC=CC3)-c2ccccc21
InChIInChI=1S/C18H16O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-4,7-10,18-19H,5-6,11H2
InChIKeyCAWCSKDXCGKPCG-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.60
Rot. Bonds

About 1,4,5,6-tetrahydrochrysen-6-ol

1,4,5,6-tetrahydrochrysen-6-ol (PubChem CID 174823835) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrochrysen-6-ol.

Molecular Properties

Compound Name1,4,5,6-tetrahydrochrysen-6-ol
PubChem CID174823835
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1,4,5,6-tetrahydrochrysen-6-ol
SMILESOC1Cc2c(ccc3c2CC=CC3)-c2ccccc21
InChIInChI=1S/C18H16O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-4,7-10,18-19H,5-6,11H2
InChIKeyCAWCSKDXCGKPCG-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.60
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 1,4,5,6-tetrahydrochrysen-6-ol?
The IUPAC name of 1,4,5,6-tetrahydrochrysen-6-ol (CID 174823835) is 1,4,5,6-tetrahydrochrysen-6-ol.
What is the SMILES notation for 1,4,5,6-tetrahydrochrysen-6-ol?
The canonical SMILES for 1,4,5,6-tetrahydrochrysen-6-ol is OC1Cc2c(ccc3c2CC=CC3)-c2ccccc21.
What is the InChIKey of 1,4,5,6-tetrahydrochrysen-6-ol?
The InChIKey is CAWCSKDXCGKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-4,7-10,18-19H,5-6,11H2.
What are the key properties of 1,4,5,6-tetrahydrochrysen-6-ol?
1,4,5,6-tetrahydrochrysen-6-ol has a molecular weight of 248.32 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrochrysen-6-ol is sourced from PubChem (CID 174823835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).