2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol

C16H24O2 — CID 107709472

IUPAC2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
SMILESCCC1CCC(Oc2ccc(CCO)cc2)CC1
InChIInChI=1S/C16H24O2/c1-2-13-3-7-15(8-4-13)18-16-9-5-14(6-10-16)11-12-17/h5-6,9-10,13,15,17H,2-4,7-8,11-12H2,1H3
InChIKeyBKOUTZZIIHFNBD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds5

About 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol

2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol (PubChem CID 107709472) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
PubChem CID107709472
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
SMILESCCC1CCC(Oc2ccc(CCO)cc2)CC1
InChIInChI=1S/C16H24O2/c1-2-13-3-7-15(8-4-13)18-16-9-5-14(6-10-16)11-12-17/h5-6,9-10,13,15,17H,2-4,7-8,11-12H2,1H3
InChIKeyBKOUTZZIIHFNBD-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol (CID 107709472) is 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol is CCC1CCC(Oc2ccc(CCO)cc2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol?
The InChIKey is BKOUTZZIIHFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-13-3-7-15(8-4-13)18-16-9-5-14(6-10-16)11-12-17/h5-6,9-10,13,15,17H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol?
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 107709472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).