(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one

C14H22O — CID 12555701

IUPAC(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one
SMILESO=C1C[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]12
InChIInChI=1S/C14H22O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h10-13H,1-9H2/t10-,11+,12-,13+/m1/s1
InChIKeyYOZNXRXIVKCGKX-XQHKEYJVSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds

About (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one

(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one (PubChem CID 12555701) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one.

Molecular Properties

Compound Name(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one
PubChem CID12555701
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one
SMILESO=C1C[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]12
InChIInChI=1S/C14H22O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h10-13H,1-9H2/t10-,11+,12-,13+/m1/s1
InChIKeyYOZNXRXIVKCGKX-XQHKEYJVSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-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

2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(1S,3aR,7aR)-1-methoxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 15724631
3,3a,4,5,6,7,7a,7b-octahydro-1aH-naphtho[1,2-b]oxiren-2-one
CID 130037537
3-oxo-1,2,3a,4,5,6,7,7a-octahydroindene-1-carboxylic acid
CID 12882556
(3aR)-1-[4-[(1R,3aR,7aS)-2-oxo-1,3,3a,4,5,6,7,7a-octahydroinden-1-yl]but-2-ynyl]-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 90464428
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one
CID 89471715

Frequently Asked Questions

What is the IUPAC name of (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one?
The IUPAC name of (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one (CID 12555701) is (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one.
What is the SMILES notation for (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one?
The canonical SMILES for (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one is O=C1C[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]12.
What is the InChIKey of (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one?
The InChIKey is YOZNXRXIVKCGKX-XQHKEYJVSA-N. The full InChI is InChI=1S/C14H22O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h10-13H,1-9H2/t10-,11+,12-,13+/m1/s1.
What are the key properties of (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one?
(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one has a molecular weight of 206.33 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one is sourced from PubChem (CID 12555701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).