1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol

C16H24O2 — CID 64738983

IUPAC1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
SMILESCC(O)c1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H24O2/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14,17H,8-10H2,1-3H3
InChIKeyMUNKAANOZSWAJS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds3

About 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol

1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol (PubChem CID 64738983) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
PubChem CID64738983
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
SMILESCC(O)c1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H24O2/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14,17H,8-10H2,1-3H3
InChIKeyMUNKAANOZSWAJS-UHFFFAOYSA-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

(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
CID 78999226
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 54914608
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 64738388
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol?
The IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol (CID 64738983) is 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol is CC(O)c1ccccc1OC1CCC(C)C(C)C1.
What is the InChIKey of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol?
The InChIKey is MUNKAANOZSWAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-8-9-14(10-12(11)2)18-16-7-5-4-6-15(16)13(3)17/h4-7,11-14,17H,8-10H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol?
1-[2-(3,4-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 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 64738983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).