11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

C23H34O2 — CID 123663298

IUPAC11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILESC=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(C)(O)CC12C
InChIInChI=1S/C23H34O2/c1-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-21(15,3)20(17)23(5,25)13-22(18,19)4/h12,17-20,25H,1,6-11,13H2,2-5H3
InChIKeyVDXPVMHTRMGCRJ-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.07
Rot. Bonds1

About 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (PubChem CID 123663298) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem CID123663298
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILESC=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(C)(O)CC12C
InChIInChI=1S/C23H34O2/c1-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-21(15,3)20(17)23(5,25)13-22(18,19)4/h12,17-20,25H,1,6-11,13H2,2-5H3
InChIKeyVDXPVMHTRMGCRJ-UHFFFAOYSA-N
XLogP5.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one 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

(8S,9S,10R,13S,17R)-10,13-dimethyl-17-prop-1-en-2-yl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 126756192
(11S,17S)-11,17-dihydroxy-10,11,13,17-tetramethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 138501891
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 5994
(8S,9R,10S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 71200542
(8S,9R,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 7059605
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163196495
(8S,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163070290
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;methanol
CID 174862256
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbonyl chloride
CID 11727386
(8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-17-prop-1-en-2-yl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 68720780
(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(E)-pent-2-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 140996512
(6R,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11-hydroxy-10,13-dimethyl-17-prop-1-en-2-yl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 68596962

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The IUPAC name of 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (CID 123663298) is 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
What is the SMILES notation for 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The canonical SMILES for 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one is C=C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(C)(O)CC12C.
What is the InChIKey of 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The InChIKey is VDXPVMHTRMGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2/c1-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-21(15,3)20(17)23(5,25)13-22(18,19)4/h12,17-20,25H,1,6-11,13H2,2-5H3.
What are the key properties of 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one?
11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one has a molecular weight of 342.52 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-10,11,13-trimethyl-17-prop-1-en-2-yl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 123663298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).