1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol

C14H24O — CID 141104109

IUPAC1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
SMILESOC1CCCC2C1CCC1CCCCC12
InChIInChI=1S/C14H24O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h10-15H,1-9H2
InChIKeyLECGDAIXZWWGSQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.36
Rot. Bonds

About 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol

1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol (PubChem CID 141104109) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
PubChem CID141104109
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
SMILESOC1CCCC2C1CCC1CCCCC12
InChIInChI=1S/C14H24O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h10-15H,1-9H2
InChIKeyLECGDAIXZWWGSQ-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.36
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,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol?
The IUPAC name of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol (CID 141104109) is 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol.
What is the SMILES notation for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol?
The canonical SMILES for 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol is OC1CCCC2C1CCC1CCCCC12.
What is the InChIKey of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol?
The InChIKey is LECGDAIXZWWGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h10-15H,1-9H2.
What are the key properties of 1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol?
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.36, 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,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol is sourced from PubChem (CID 141104109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).