(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol

C18H28O — CID 71117323

IUPAC(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
SMILESCc1ccc([C@H](O)[C@@H]2[C@@H](C)CCCC2(C)C)cc1C
InChIInChI=1S/C18H28O/c1-12-8-9-15(11-14(12)3)17(19)16-13(2)7-6-10-18(16,4)5/h8-9,11,13,16-17,19H,6-7,10H2,1-5H3/t13-,16-,17-/m0/s1
InChIKeyRSXQFMGERCUGHQ-JQFCIGGWSA-N
MW260.42 g/mol
LogP4.80
Rot. Bonds2

About (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol

(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol (PubChem CID 71117323) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
PubChem CID71117323
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
SMILESCc1ccc([C@H](O)[C@@H]2[C@@H](C)CCCC2(C)C)cc1C
InChIInChI=1S/C18H28O/c1-12-8-9-15(11-14(12)3)17(19)16-13(2)7-6-10-18(16,4)5/h8-9,11,13,16-17,19H,6-7,10H2,1-5H3/t13-,16-,17-/m0/s1
InChIKeyRSXQFMGERCUGHQ-JQFCIGGWSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[hydroxy-[(1S,6R)-2,2,6-trimethylcyclohexyl]methyl]-2-methylbenzonitrile
CID 71116877
(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117377
(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117110
4-[(R)-hydroxy-[(1R,6S)-2,2,6-trimethylcyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile
CID 71117027
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3,4-dimethylphenyl)-(2-ethylcyclohexyl)methanol
CID 63895871
(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
CID 105091741
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol
CID 70601692
(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71582376
(1R)-2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71116930
cyclohex-3-en-1-yl-(3,4-dimethylphenyl)methanol
CID 63900775

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
The IUPAC name of (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol (CID 71117323) is (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol.
What is the SMILES notation for (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
The canonical SMILES for (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol is Cc1ccc([C@H](O)[C@@H]2[C@@H](C)CCCC2(C)C)cc1C.
What is the InChIKey of (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
The InChIKey is RSXQFMGERCUGHQ-JQFCIGGWSA-N. The full InChI is InChI=1S/C18H28O/c1-12-8-9-15(11-14(12)3)17(19)16-13(2)7-6-10-18(16,4)5/h8-9,11,13,16-17,19H,6-7,10H2,1-5H3/t13-,16-,17-/m0/s1.
What are the key properties of (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol has a molecular weight of 260.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol is sourced from PubChem (CID 71117323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).