(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol

C15H22O3 — CID 78958662

IUPAC(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
SMILESCOC1CCCC(Oc2ccccc2[C@H](C)O)C1
InChIInChI=1S/C15H22O3/c1-11(16)14-8-3-4-9-15(14)18-13-7-5-6-12(10-13)17-2/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11-,12?,13?/m0/s1
InChIKeyHASZJAHVVCLIAO-HIFPTAJRSA-N
MW250.34 g/mol
LogP3.08
Rot. Bonds4

About (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol

(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol (PubChem CID 78958662) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
PubChem CID78958662
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
SMILESCOC1CCCC(Oc2ccccc2[C@H](C)O)C1
InChIInChI=1S/C15H22O3/c1-11(16)14-8-3-4-9-15(14)18-13-7-5-6-12(10-13)17-2/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11-,12?,13?/m0/s1
InChIKeyHASZJAHVVCLIAO-HIFPTAJRSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958654
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
CID 78999226
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 54914608
1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
(1S)-1-[4-methoxy-2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 82001110

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol (CID 78958662) is (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol is COC1CCCC(Oc2ccccc2[C@H](C)O)C1.
What is the InChIKey of (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
The InChIKey is HASZJAHVVCLIAO-HIFPTAJRSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(16)14-8-3-4-9-15(14)18-13-7-5-6-12(10-13)17-2/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11-,12?,13?/m0/s1.
What are the key properties of (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 78958662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).