2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol

C13H20O — CID 23243128

IUPAC2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol
SMILESCC1=C[C@@H]2[C@H](CC=C[C@H]2CCO)CC1
InChIInChI=1S/C13H20O/c1-10-5-6-11-3-2-4-12(7-8-14)13(11)9-10/h2,4,9,11-14H,3,5-8H2,1H3/t11-,12+,13-/m1/s1
InChIKeyFLIVMNYBDRMLML-FRRDWIJNSA-N
MW192.30 g/mol
LogP2.92
Rot. Bonds2

About 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol

2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol (PubChem CID 23243128) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol
PubChem CID23243128
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol
SMILESCC1=C[C@@H]2[C@H](CC=C[C@H]2CCO)CC1
InChIInChI=1S/C13H20O/c1-10-5-6-11-3-2-4-12(7-8-14)13(11)9-10/h2,4,9,11-14H,3,5-8H2,1H3/t11-,12+,13-/m1/s1
InChIKeyFLIVMNYBDRMLML-FRRDWIJNSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol 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

methyl (3aS,7R,7aS)-7-(2-hydroxyethyl)-2,3,3a,4,7,7a-hexahydroindole-1-carboxylate
CID 14729156
2-[(1R,4aS,8aS)-7-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
CID 163001123
3-iodo-1-methylcyclohexene
CID 86119849
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
(3aR,5E,8S,9E,12aR)-8-(methoxymethoxy)-6,10-dimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulene
CID 102001195
2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol
CID 20547238
2-[(1R,6R)-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 11820069
(1S,2R,6R)-2-(2-hydroxyethyl)-6-phenylcyclohex-3-en-1-ol
CID 139120470
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
ethane;2-[2-hydroxyethyl-(4-methylcyclohex-3-en-1-yl)amino]ethanol
CID 177317246
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propane-1,2-diol;ethane
CID 143340528
(4-methylcyclohex-3-en-1-yl)methanol
CID 564672

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol?
The IUPAC name of 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol (CID 23243128) is 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol.
What is the SMILES notation for 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol?
The canonical SMILES for 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol is CC1=C[C@@H]2[C@H](CC=C[C@H]2CCO)CC1.
What is the InChIKey of 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol?
The InChIKey is FLIVMNYBDRMLML-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H20O/c1-10-5-6-11-3-2-4-12(7-8-14)13(11)9-10/h2,4,9,11-14H,3,5-8H2,1H3/t11-,12+,13-/m1/s1.
What are the key properties of 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol?
2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol has a molecular weight of 192.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4aS,8aR)-7-methyl-1,4,4a,5,6,8a-hexahydronaphthalen-1-yl]ethanol is sourced from PubChem (CID 23243128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).