1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol

C17H26O2 — CID 81314856

IUPAC1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCCOc1cccc(C2(O)CCC(C)(C)CC2C)c1
InChIInChI=1S/C17H26O2/c1-5-19-15-8-6-7-14(11-15)17(18)10-9-16(3,4)12-13(17)2/h6-8,11,13,18H,5,9-10,12H2,1-4H3
InChIKeyIMRSLEJNLPUGIL-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.12
Rot. Bonds3

About 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol

1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81314856) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81314856
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCCOc1cccc(C2(O)CCC(C)(C)CC2C)c1
InChIInChI=1S/C17H26O2/c1-5-19-15-8-6-7-14(11-15)17(18)10-9-16(3,4)12-13(17)2/h6-8,11,13,18H,5,9-10,12H2,1-4H3
InChIKeyIMRSLEJNLPUGIL-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468134
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride
CID 67640778
1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
2,4,4-trimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81304523
1-[(3-methoxyphenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81313487
4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
CID 67642002
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
CID 22146616
1-ethoxy-3-(1-isocyanatocyclopropyl)benzene
CID 105455219

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol (CID 81314856) is 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol is CCOc1cccc(C2(O)CCC(C)(C)CC2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is IMRSLEJNLPUGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-19-15-8-6-7-14(11-15)17(18)10-9-16(3,4)12-13(17)2/h6-8,11,13,18H,5,9-10,12H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol?
1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81314856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).