2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol

C17H26O2 — CID 116756467

IUPAC2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol
SMILESCOC(C1CCCCC1)C(O)c1cccc(C)c1C
InChIInChI=1S/C17H26O2/c1-12-8-7-11-15(13(12)2)16(18)17(19-3)14-9-5-4-6-10-14/h7-8,11,14,16-18H,4-6,9-10H2,1-3H3
InChIKeyZNNFBAWMHBCDBJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.93
Rot. Bonds4

About 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol

2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol (PubChem CID 116756467) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol
PubChem CID116756467
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol
SMILESCOC(C1CCCCC1)C(O)c1cccc(C)c1C
InChIInChI=1S/C17H26O2/c1-12-8-7-11-15(13(12)2)16(18)17(19-3)14-9-5-4-6-10-14/h7-8,11,14,16-18H,4-6,9-10H2,1-3H3
InChIKeyZNNFBAWMHBCDBJ-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771448
2-cyclohexyl-2-methoxy-1-naphthalen-1-ylethanol
CID 116756473
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxyethanol
CID 116756379
2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116756263
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
1-(2,3-dimethylphenyl)-2-methoxypropan-1-ol
CID 79616060
2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
CID 116756278
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
(1R,5S)-1,5-dicyclopentyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304244
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol?
The IUPAC name of 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol (CID 116756467) is 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol.
What is the SMILES notation for 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol?
The canonical SMILES for 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol is COC(C1CCCCC1)C(O)c1cccc(C)c1C.
What is the InChIKey of 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol?
The InChIKey is ZNNFBAWMHBCDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-8-7-11-15(13(12)2)16(18)17(19-3)14-9-5-4-6-10-14/h7-8,11,14,16-18H,4-6,9-10H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol?
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol has a molecular weight of 262.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol is sourced from PubChem (CID 116756467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).