[(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol

C20H30O — CID 170989343

IUPAC[(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol
SMILESCC(C)C[C@@H]1C[C@H](C)[C@@H]2CC[C@H](C)c3ccc(CO)c1c32
InChIInChI=1S/C20H30O/c1-12(2)9-16-10-14(4)18-7-5-13(3)17-8-6-15(11-21)19(16)20(17)18/h6,8,12-14,16,18,21H,5,7,9-11H2,1-4H3/t13-,14-,16+,18-/m0/s1
InChIKeyZVOUSPRWBZXKRL-KMCQBPLKSA-N
MW286.46 g/mol
LogP5.33
Rot. Bonds3

About [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol

[(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol (PubChem CID 170989343) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol.

Molecular Properties

Compound Name[(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol
PubChem CID170989343
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name[(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol
SMILESCC(C)C[C@@H]1C[C@H](C)[C@@H]2CC[C@H](C)c3ccc(CO)c1c32
InChIInChI=1S/C20H30O/c1-12(2)9-16-10-14(4)18-7-5-13(3)17-8-6-15(11-21)19(16)20(17)18/h6,8,12-14,16,18,21H,5,7,9-11H2,1-4H3/t13-,14-,16+,18-/m0/s1
InChIKeyZVOUSPRWBZXKRL-KMCQBPLKSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol 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

Cuminol
CID 325
Dehydroabietyl alcohol
CID 15586718
[1,1'-Biphenyl]-3-methanol, 2-methyl-
CID 596875
1-Naphthalenemethanol
CID 20908
9-Anthracenemethanol
CID 73848
1-Pyrenemethanol
CID 104977
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
12-Methylbenz(a)anthracene-7-methanol
CID 11285
2-Naphthalenemethanol
CID 74128
3,4-Dimethylbenzyl alcohol
CID 23407
Bay 27-9955
CID 5311277
(1,1'-Biphenyl)-4-methanol
CID 19186

Frequently Asked Questions

What is the IUPAC name of [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol?
The IUPAC name of [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol (CID 170989343) is [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol.
What is the SMILES notation for [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol?
The canonical SMILES for [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol is CC(C)C[C@@H]1C[C@H](C)[C@@H]2CC[C@H](C)c3ccc(CO)c1c32.
What is the InChIKey of [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol?
The InChIKey is ZVOUSPRWBZXKRL-KMCQBPLKSA-N. The full InChI is InChI=1S/C20H30O/c1-12(2)9-16-10-14(4)18-7-5-13(3)17-8-6-15(11-21)19(16)20(17)18/h6,8,12-14,16,18,21H,5,7,9-11H2,1-4H3/t13-,14-,16+,18-/m0/s1.
What are the key properties of [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol?
[(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol has a molecular weight of 286.46 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6aS,7S,9R)-4,7-dimethyl-9-(2-methylpropyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-1-yl]methanol is sourced from PubChem (CID 170989343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).