(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol

C17H24O — CID 11075693

IUPAC(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol
SMILESCC1(C)CCC[C@]2(C)c3cccc(O)c3CC[C@@H]12
InChIInChI=1S/C17H24O/c1-16(2)10-5-11-17(3)13-6-4-7-14(18)12(13)8-9-15(16)17/h4,6-7,15,18H,5,8-11H2,1-3H3/t15-,17+/m0/s1
InChIKeyINGVFHMUEKKXHO-DOTOQJQBSA-N
MW244.38 g/mol
LogP4.42
Rot. Bonds

About (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol

(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol (PubChem CID 11075693) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol.

Molecular Properties

Compound Name(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol
PubChem CID11075693
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol
SMILESCC1(C)CCC[C@]2(C)c3cccc(O)c3CC[C@@H]12
InChIInChI=1S/C17H24O/c1-16(2)10-5-11-17(3)13-6-4-7-14(18)12(13)8-9-15(16)17/h4,6-7,15,18H,5,8-11H2,1-3H3/t15-,17+/m0/s1
InChIKeyINGVFHMUEKKXHO-DOTOQJQBSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol?
The IUPAC name of (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol (CID 11075693) is (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol.
What is the SMILES notation for (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol?
The canonical SMILES for (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol is CC1(C)CCC[C@]2(C)c3cccc(O)c3CC[C@@H]12.
What is the InChIKey of (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol?
The InChIKey is INGVFHMUEKKXHO-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)10-5-11-17(3)13-6-4-7-14(18)12(13)8-9-15(16)17/h4,6-7,15,18H,5,8-11H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol?
(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol is sourced from PubChem (CID 11075693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).