1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol

C19H30O2 — CID 116755271

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
SMILESCCOC1(C(O)CCCc2ccccc2)CCCC(C)C1
InChIInChI=1S/C19H30O2/c1-3-21-19(14-8-9-16(2)15-19)18(20)13-7-12-17-10-5-4-6-11-17/h4-6,10-11,16,18,20H,3,7-9,12-15H2,1-2H3
InChIKeyOIVONYCNLOEOGT-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.36
Rot. Bonds7

About 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol

1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol (PubChem CID 116755271) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
PubChem CID116755271
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
SMILESCCOC1(C(O)CCCc2ccccc2)CCCC(C)C1
InChIInChI=1S/C19H30O2/c1-3-21-19(14-8-9-16(2)15-19)18(20)13-7-12-17-10-5-4-6-11-17/h4-6,10-11,16,18,20H,3,7-9,12-15H2,1-2H3
InChIKeyOIVONYCNLOEOGT-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol (CID 116755271) is 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol is CCOC1(C(O)CCCc2ccccc2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol?
The InChIKey is OIVONYCNLOEOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-21-19(14-8-9-16(2)15-19)18(20)13-7-12-17-10-5-4-6-11-17/h4-6,10-11,16,18,20H,3,7-9,12-15H2,1-2H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol?
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 116755271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).