(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol

C18H26O — CID 10515391

IUPAC(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
SMILESCc1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2
InChIInChI=1S/C18H26O/c1-12-10-13-6-7-16-17(2,3)8-5-9-18(16,4)14(13)11-15(12)19/h10-11,16,19H,5-9H2,1-4H3/t16-,18+/m0/s1
InChIKeyODTCMDWMTYIADH-FUHWJXTLSA-N
MW258.40 g/mol
LogP4.73
Rot. Bonds

About (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol

(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol (PubChem CID 10515391) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol.

Molecular Properties

Compound Name(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
PubChem CID10515391
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
SMILESCc1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2
InChIInChI=1S/C18H26O/c1-12-10-13-6-7-16-17(2,3)8-5-9-18(16,4)14(13)11-15(12)19/h10-11,16,19H,5-9H2,1-4H3/t16-,18+/m0/s1
InChIKeyODTCMDWMTYIADH-FUHWJXTLSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol with MolForge

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Related Compounds

(4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
CID 24746671
(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 15870443
(4bR,8aR)-4b,8,8-trimethyl-2-prop-1-en-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 10541071
(4bR,8aR)-2-(1-hydroxypropan-2-yl)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 163016901
(4aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 134169933
(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol
CID 11075693
(4bR,8aR)-4b,8,8-trimethyl-3-phenylmethoxy-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
CID 638504
ethyl 4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2-carboxylate
CID 142943737
[(1S,4aR,10aR)-6-methoxy-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
CID 95561924
(4aS,10aR)-6-hydroxy-4a,7-dimethyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one
CID 132989043
(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane
CID 91743369
15-amino-1,5-dimethyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492163

Frequently Asked Questions

What is the IUPAC name of (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol?
The IUPAC name of (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol (CID 10515391) is (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol.
What is the SMILES notation for (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol?
The canonical SMILES for (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol is Cc1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2.
What is the InChIKey of (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol?
The InChIKey is ODTCMDWMTYIADH-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H26O/c1-12-10-13-6-7-16-17(2,3)8-5-9-18(16,4)14(13)11-15(12)19/h10-11,16,19H,5-9H2,1-4H3/t16-,18+/m0/s1.
What are the key properties of (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol?
(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol has a molecular weight of 258.40 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol is sourced from PubChem (CID 10515391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).