1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol

C18H24O3 — CID 114727447

IUPAC1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
SMILESCCOC1(C(O)c2cc3ccccc3o2)CCC(C)CC1
InChIInChI=1S/C18H24O3/c1-3-20-18(10-8-13(2)9-11-18)17(19)16-12-14-6-4-5-7-15(14)21-16/h4-7,12-13,17,19H,3,8-11H2,1-2H3
InChIKeyOVDKGUPMVYIKGQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.45
Rot. Bonds4

About 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol

1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol (PubChem CID 114727447) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
PubChem CID114727447
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
SMILESCCOC1(C(O)c2cc3ccccc3o2)CCC(C)CC1
InChIInChI=1S/C18H24O3/c1-3-20-18(10-8-13(2)9-11-18)17(19)16-12-14-6-4-5-7-15(14)21-16/h4-7,12-13,17,19H,3,8-11H2,1-2H3
InChIKeyOVDKGUPMVYIKGQ-UHFFFAOYSA-N
XLogP4.45
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
CID 114727316
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
CID 116754309
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
2-(1-aminocyclobutyl)-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylacetamide
CID 79844029
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
CID 79138546
2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
(4-cyclopropyloxyphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 114519169
2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
CID 116779701
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanamine
CID 116766932
1-[1-benzofuran-2-yl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79136365
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol (CID 114727447) is 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol is CCOC1(C(O)c2cc3ccccc3o2)CCC(C)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol?
The InChIKey is OVDKGUPMVYIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-3-20-18(10-8-13(2)9-11-18)17(19)16-12-14-6-4-5-7-15(14)21-16/h4-7,12-13,17,19H,3,8-11H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol?
1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol has a molecular weight of 288.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 114727447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).