(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol

C16H24O2 — CID 78999226

IUPAC(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
SMILESCC1CC(C)CC(Oc2ccccc2[C@@H](C)O)C1
InChIInChI=1S/C16H24O2/c1-11-8-12(2)10-14(9-11)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14,17H,8-10H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyLQEJRJJJJQBSAM-WCFLAILDSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds3

About (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol

(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol (PubChem CID 78999226) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
PubChem CID78999226
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
SMILESCC1CC(C)CC(Oc2ccccc2[C@@H](C)O)C1
InChIInChI=1S/C16H24O2/c1-11-8-12(2)10-14(9-11)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14,17H,8-10H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyLQEJRJJJJQBSAM-WCFLAILDSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64735115
(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999241
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 54914608
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 78999225
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
(3-methylcyclobutyl)oxybenzene
CID 126670705
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol (CID 78999226) is (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol is CC1CC(C)CC(Oc2ccccc2[C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol?
The InChIKey is LQEJRJJJJQBSAM-WCFLAILDSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-8-12(2)10-14(9-11)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14,17H,8-10H2,1-3H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol?
(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 78999226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).