1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol

C17H26O2 — CID 116754684

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
SMILESCCOC1(C(O)Cc2ccccc2)CCC(C)CC1
InChIInChI=1S/C17H26O2/c1-3-19-17(11-9-14(2)10-12-17)16(18)13-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyMVIUDMHGENCIAN-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.58
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol

1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol (PubChem CID 116754684) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
PubChem CID116754684
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
SMILESCCOC1(C(O)Cc2ccccc2)CCC(C)CC1
InChIInChI=1S/C17H26O2/c1-3-19-17(11-9-14(2)10-12-17)16(18)13-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyMVIUDMHGENCIAN-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanol
CID 116754651
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
1-(1-hydroxy-2-phenylethyl)-4-methylcyclohexane-1-carbonitrile
CID 79131917
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol (CID 116754684) is 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol is CCOC1(C(O)Cc2ccccc2)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol?
The InChIKey is MVIUDMHGENCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-19-17(11-9-14(2)10-12-17)16(18)13-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol?
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol has a molecular weight of 262.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol is sourced from PubChem (CID 116754684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).