2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol

C20H28O2 — CID 162970739

IUPAC2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)C=C[C@H]1[C@](C)(CO)CCC[C@]21C
InChIInChI=1S/C20H28O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h6-9,12,17,21-22H,5,10-11,13H2,1-4H3/t17-,19-,20+/m0/s1
InChIKeyIQHBZJPFGJKKJI-YSIASYRMSA-N
MW300.44 g/mol
LogP4.00
Rot. Bonds2

About 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol

2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol (PubChem CID 162970739) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol
PubChem CID162970739
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)C=C[C@H]1[C@](C)(CO)CCC[C@]21C
InChIInChI=1S/C20H28O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h6-9,12,17,21-22H,5,10-11,13H2,1-4H3/t17-,19-,20+/m0/s1
InChIKeyIQHBZJPFGJKKJI-YSIASYRMSA-N
XLogP4.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-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

Dehydroabietyl alcohol
CID 15586718
[1,1'-Biphenyl]-3-methanol, 2-methyl-
CID 596875
2-Naphthalenemethanol
CID 74128
12-Methylbenz(a)anthracene-7-methanol
CID 11285
3,4-Dimethylbenzyl alcohol
CID 23407
15-Hydroxydehydroabietic Acid
CID 14487943
Bay 27-9955
CID 5311277
2,4-Dimethylbenzyl alcohol
CID 27809
1-(1-Pyrenyl)ethanol
CID 119118
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095
2,4,6-Trimethylbenzyl alcohol
CID 20139
4-tert-Butylbenzyl alcohol
CID 13416

Frequently Asked Questions

What is the IUPAC name of 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol?
The IUPAC name of 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol (CID 162970739) is 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol?
The canonical SMILES for 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)C=C[C@H]1[C@](C)(CO)CCC[C@]21C.
What is the InChIKey of 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol?
The InChIKey is IQHBZJPFGJKKJI-YSIASYRMSA-N. The full InChI is InChI=1S/C20H28O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h6-9,12,17,21-22H,5,10-11,13H2,1-4H3/t17-,19-,20+/m0/s1.
What are the key properties of 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol?
2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol has a molecular weight of 300.44 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl]propan-2-ol is sourced from PubChem (CID 162970739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).