1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol

C19H30O — CID 71577459

IUPAC1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol
SMILESCC(O)C1=CCC2=C(CCC3C(C)(C)CCC[C@]23C)C1
InChIInChI=1S/C19H30O/c1-13(20)14-6-8-16-15(12-14)7-9-17-18(2,3)10-5-11-19(16,17)4/h6,13,17,20H,5,7-12H2,1-4H3/t13?,17?,19-/m1/s1
InChIKeyMULPRSFJQPDHSZ-GFEPPQMASA-N
MW274.45 g/mol
LogP5.01
Rot. Bonds1

About 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol

1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol (PubChem CID 71577459) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol.

Molecular Properties

Compound Name1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol
PubChem CID71577459
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol
SMILESCC(O)C1=CCC2=C(CCC3C(C)(C)CCC[C@]23C)C1
InChIInChI=1S/C19H30O/c1-13(20)14-6-8-16-15(12-14)7-9-17-18(2,3)10-5-11-19(16,17)4/h6,13,17,20H,5,7-12H2,1-4H3/t13?,17?,19-/m1/s1
InChIKeyMULPRSFJQPDHSZ-GFEPPQMASA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,9,10,10a-octahydrophenanthrene-1-carboxylate
CID 22215012
(4aR,12bR)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracene-8,11-diol
CID 11347494
2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)propan-2-ol
CID 162873139
2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol
CID 162990965
(2S)-5-[(4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylidenepentane-1,2-diol
CID 162842190
(4bR,8aR)-2-(1-hydroxypropan-2-yl)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 163016901
ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 167512819
(4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
CID 24746671
acetic acid;17-(1-iodopropan-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 22296951
(10S,13S,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 22814805
(4aS,10aS)-1,1,4a-trimethyl-8-nitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 11336036
(5aR,6R,9aS)-6,9a-dimethyl-3-(2-methylpropyl)-4,5,5a,7,8,9-hexahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
CID 14807396

Frequently Asked Questions

What is the IUPAC name of 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol?
The IUPAC name of 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol (CID 71577459) is 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol.
What is the SMILES notation for 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol?
The canonical SMILES for 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol is CC(O)C1=CCC2=C(CCC3C(C)(C)CCC[C@]23C)C1.
What is the InChIKey of 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol?
The InChIKey is MULPRSFJQPDHSZ-GFEPPQMASA-N. The full InChI is InChI=1S/C19H30O/c1-13(20)14-6-8-16-15(12-14)7-9-17-18(2,3)10-5-11-19(16,17)4/h6,13,17,20H,5,7-12H2,1-4H3/t13?,17?,19-/m1/s1.
What are the key properties of 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol?
1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol has a molecular weight of 274.45 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol is sourced from PubChem (CID 71577459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).