(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol

C18H28O2 — CID 116755399

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
SMILESCCOC1(C(O)c2ccccc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H28O2/c1-5-20-18(12-10-17(3,4)11-13-18)16(19)15-9-7-6-8-14(15)2/h6-9,16,19H,5,10-13H2,1-4H3
InChIKeyIYDDYWZIHJNPMG-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.40
Rot. Bonds4

About (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol

(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol (PubChem CID 116755399) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
PubChem CID116755399
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
SMILESCCOC1(C(O)c2ccccc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H28O2/c1-5-20-18(12-10-17(3,4)11-13-18)16(19)15-9-7-6-8-14(15)2/h6-9,16,19H,5,10-13H2,1-4H3
InChIKeyIYDDYWZIHJNPMG-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
1-[hydroxy-(2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136881
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
CID 116754309
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(1-ethoxycyclopentyl)-(4-methoxy-2-methylphenyl)methanol
CID 116753155
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol (CID 116755399) is (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol is CCOC1(C(O)c2ccccc2C)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol?
The InChIKey is IYDDYWZIHJNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-20-18(12-10-17(3,4)11-13-18)16(19)15-9-7-6-8-14(15)2/h6-9,16,19H,5,10-13H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol?
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol is sourced from PubChem (CID 116755399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).