2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol

C20H32O — CID 162990965

IUPAC2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCC2=C(CCC3C(C)(C)CCCC23C)C1
InChIInChI=1S/C20H32O/c1-14(13-21)15-6-8-17-16(12-15)7-9-18-19(2,3)10-5-11-20(17,18)4/h15,18,21H,1,5-13H2,2-4H3
InChIKeyIFEMUPIZBDMDQV-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.26
Rot. Bonds2

About 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol

2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol (PubChem CID 162990965) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol
PubChem CID162990965
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCC2=C(CCC3C(C)(C)CCCC23C)C1
InChIInChI=1S/C20H32O/c1-14(13-21)15-6-8-17-16(12-15)7-9-18-19(2,3)10-5-11-20(17,18)4/h15,18,21H,1,5-13H2,2-4H3
InChIKeyIFEMUPIZBDMDQV-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)propan-2-ol
CID 162873139
1-[(4bS)-4b,8,8-trimethyl-1,4,5,6,7,8a,9,10-octahydrophenanthren-2-yl]ethanol
CID 71577459
(4aR,12bR)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracene-8,11-diol
CID 11347494
(4aR,4bS,7S,8aR,10aR)-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthren-9-one
CID 162859154
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
(8aS)-5,5,8a-trimethyl-1-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-2-one
CID 10703503
(4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
CID 24746671
(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
[(1R,4aR,8R)-8-ethenyl-1,4a,8-trimethyl-3,4,5,6,7,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
CID 89275011
(1R,3R,8R,13R,16S)-16-hydroxy-3,7,7-trimethyltetracyclo[11.2.1.02,11.03,8]hexadec-2(11)-en-15-one
CID 134954455
methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,7,8,9,10,10a-decahydrophenanthrene-1-carboxylate
CID 618154
2-[(2R,4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol
CID 162929374

Frequently Asked Questions

What is the IUPAC name of 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol?
The IUPAC name of 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) is 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol is C=C(CO)C1CCC2=C(CCC3C(C)(C)CCCC23C)C1.
What is the InChIKey of 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol?
The InChIKey is IFEMUPIZBDMDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-14(13-21)15-6-8-17-16(12-15)7-9-18-19(2,3)10-5-11-20(17,18)4/h15,18,21H,1,5-13H2,2-4H3.
What are the key properties of 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol?
2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4b,8,8-trimethyl-1,2,3,4,5,6,7,8a,9,10-decahydrophenanthren-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 162990965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).