2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol

C18H28O2 — CID 21199814

IUPAC2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol
SMILESCCc1cc(CCO)cc(C2(C)CCCCC2)c1OC
InChIInChI=1S/C18H28O2/c1-4-15-12-14(8-11-19)13-16(17(15)20-3)18(2)9-6-5-7-10-18/h12-13,19H,4-11H2,1-3H3
InChIKeyFTKGOVKUZVQZOB-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.01
Rot. Bonds5

About 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol

2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol (PubChem CID 21199814) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol
PubChem CID21199814
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol
SMILESCCc1cc(CCO)cc(C2(C)CCCCC2)c1OC
InChIInChI=1S/C18H28O2/c1-4-15-12-14(8-11-19)13-16(17(15)20-3)18(2)9-6-5-7-10-18/h12-13,19H,4-11H2,1-3H3
InChIKeyFTKGOVKUZVQZOB-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol?
The IUPAC name of 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol (CID 21199814) is 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol?
The canonical SMILES for 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol is CCc1cc(CCO)cc(C2(C)CCCCC2)c1OC.
What is the InChIKey of 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol?
The InChIKey is FTKGOVKUZVQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-15-12-14(8-11-19)13-16(17(15)20-3)18(2)9-6-5-7-10-18/h12-13,19H,4-11H2,1-3H3.
What are the key properties of 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol?
2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-methoxy-5-(1-methylcyclohexyl)phenyl]ethanol is sourced from PubChem (CID 21199814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).