1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol

C14H18O — CID 70551647

IUPAC1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol
SMILESOC1=C2C=CCCC2C2CCCCC2=C1
InChIInChI=1S/C14H18O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h4,8-9,11-12,15H,1-3,5-7H2
InChIKeyCOZPDIQGKFQSHY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.89
Rot. Bonds

About 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol

1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol (PubChem CID 70551647) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol
PubChem CID70551647
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol
SMILESOC1=C2C=CCCC2C2CCCCC2=C1
InChIInChI=1S/C14H18O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h4,8-9,11-12,15H,1-3,5-7H2
InChIKeyCOZPDIQGKFQSHY-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.89
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,5,6-octahydrophenanthren-9-ol?
The IUPAC name of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol (CID 70551647) is 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol.
What is the SMILES notation for 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol?
The canonical SMILES for 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol is OC1=C2C=CCCC2C2CCCCC2=C1.
What is the InChIKey of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol?
The InChIKey is COZPDIQGKFQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h4,8-9,11-12,15H,1-3,5-7H2.
What are the key properties of 1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol?
1,2,3,4,4a,4b,5,6-octahydrophenanthren-9-ol has a molecular weight of 202.30 g/mol, XLogP of 3.89, 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,5,6-octahydrophenanthren-9-ol is sourced from PubChem (CID 70551647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).