(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol

C18H28O3 — CID 116754822

IUPAC(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2(OCC)CCC(C)CC2)c1
InChIInChI=1S/C18H28O3/c1-4-20-16-8-6-7-15(13-16)17(19)18(21-5-2)11-9-14(3)10-12-18/h6-8,13-14,17,19H,4-5,9-12H2,1-3H3
InChIKeyZETFHUOHZWGYPH-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.10
Rot. Bonds6

About (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol

(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol (PubChem CID 116754822) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
PubChem CID116754822
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2(OCC)CCC(C)CC2)c1
InChIInChI=1S/C18H28O3/c1-4-20-16-8-6-7-15(13-16)17(19)18(21-5-2)11-9-14(3)10-12-18/h6-8,13-14,17,19H,4-5,9-12H2,1-3H3
InChIKeyZETFHUOHZWGYPH-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
1-[hydroxy-(3-propoxyphenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 79124055
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114727447
2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
CID 116779701
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428
chloro-(3-ethoxyphenyl)methanol
CID 141156919
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethoxyphenyl)methanol
CID 79061631
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol (CID 116754822) is (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)C2(OCC)CCC(C)CC2)c1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol?
The InChIKey is ZETFHUOHZWGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-4-20-16-8-6-7-15(13-16)17(19)18(21-5-2)11-9-14(3)10-12-18/h6-8,13-14,17,19H,4-5,9-12H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol?
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol has a molecular weight of 292.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 116754822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).