1,2,3,4,4a,4b-hexahydrochrysen-3-ol

C18H18O — CID 69174264

IUPAC1,2,3,4,4a,4b-hexahydrochrysen-3-ol
SMILESOC1CCC2=CC=C3c4ccccc4C=CC3C2C1
InChIInChI=1S/C18H18O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-4,6-7,9-10,14,17-19H,5,8,11H2
InChIKeyRWKAIKBOYLXPRE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.81
Rot. Bonds

About 1,2,3,4,4a,4b-hexahydrochrysen-3-ol

1,2,3,4,4a,4b-hexahydrochrysen-3-ol (PubChem CID 69174264) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,2,3,4,4a,4b-hexahydrochrysen-3-ol.

Molecular Properties

Compound Name1,2,3,4,4a,4b-hexahydrochrysen-3-ol
PubChem CID69174264
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1,2,3,4,4a,4b-hexahydrochrysen-3-ol
SMILESOC1CCC2=CC=C3c4ccccc4C=CC3C2C1
InChIInChI=1S/C18H18O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-4,6-7,9-10,14,17-19H,5,8,11H2
InChIKeyRWKAIKBOYLXPRE-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,4b-hexahydrochrysen-3-ol?
The IUPAC name of 1,2,3,4,4a,4b-hexahydrochrysen-3-ol (CID 69174264) is 1,2,3,4,4a,4b-hexahydrochrysen-3-ol.
What is the SMILES notation for 1,2,3,4,4a,4b-hexahydrochrysen-3-ol?
The canonical SMILES for 1,2,3,4,4a,4b-hexahydrochrysen-3-ol is OC1CCC2=CC=C3c4ccccc4C=CC3C2C1.
What is the InChIKey of 1,2,3,4,4a,4b-hexahydrochrysen-3-ol?
The InChIKey is RWKAIKBOYLXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-4,6-7,9-10,14,17-19H,5,8,11H2.
What are the key properties of 1,2,3,4,4a,4b-hexahydrochrysen-3-ol?
1,2,3,4,4a,4b-hexahydrochrysen-3-ol has a molecular weight of 250.34 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,4b-hexahydrochrysen-3-ol is sourced from PubChem (CID 69174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).