8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one

C20H30O2 — CID 163113611

IUPAC8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one
SMILESCC(C)C1=CC2=CC(=O)C3C(C)(CO)CCCC3(C)C2CC1
InChIInChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)11-17(22)18-19(3,12-21)8-5-9-20(16,18)4/h10-11,13,16,18,21H,5-9,12H2,1-4H3
InChIKeySRNCVROELGQOTC-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.29
Rot. Bonds2

About 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one

8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one (PubChem CID 163113611) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one
PubChem CID163113611
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one
SMILESCC(C)C1=CC2=CC(=O)C3C(C)(CO)CCCC3(C)C2CC1
InChIInChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)11-17(22)18-19(3,12-21)8-5-9-20(16,18)4/h10-11,13,16,18,21H,5-9,12H2,1-4H3
InChIKeySRNCVROELGQOTC-UHFFFAOYSA-N
XLogP4.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-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

[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methanamine
CID 67777006
(1R,4aR,4bR,10aR)-1-(iodomethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene
CID 102381702
(1R,4aR,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 118395392
(1R,4aR,4bR)-1-ethyl-4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 67303501
(1R,4aR,4bS,10aS)-N-[2-[[(1R,4aR,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]amino]ethyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxamide
CID 124766993
[(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthren-1-yl]methanol
CID 177497802
8-(hydroxymethyl)-4b,8-dimethyl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-2-one
CID 163114689
(4aR,4bR,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-2-one
CID 163114690
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 25099
bis[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl] benzene-1,2-dicarboxylate
CID 67877450
(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;manganese
CID 11394172
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;barium(2+)
CID 21118173

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one?
The IUPAC name of 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one (CID 163113611) is 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one.
What is the SMILES notation for 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one?
The canonical SMILES for 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one is CC(C)C1=CC2=CC(=O)C3C(C)(CO)CCCC3(C)C2CC1.
What is the InChIKey of 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one?
The InChIKey is SRNCVROELGQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)11-17(22)18-19(3,12-21)8-5-9-20(16,18)4/h10-11,13,16,18,21H,5-9,12H2,1-4H3.
What are the key properties of 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one?
8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one has a molecular weight of 302.46 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8a-hexahydro-3H-phenanthren-9-one is sourced from PubChem (CID 163113611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).