2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

C18H28O — CID 65424884

IUPAC2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCc1cccc(CC(O)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H28O/c1-13(2)16-7-9-17(10-8-16)18(19)12-15-6-4-5-14(3)11-15/h4-6,11,13,16-19H,7-10,12H2,1-3H3
InChIKeyAQRFDJCSKAVFTG-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.36
Rot. Bonds4

About 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 65424884) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID65424884
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCc1cccc(CC(O)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H28O/c1-13(2)16-7-9-17(10-8-16)18(19)12-15-6-4-5-14(3)11-15/h4-6,11,13,16-19H,7-10,12H2,1-3H3
InChIKeyAQRFDJCSKAVFTG-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
2-(3-methylphenyl)-1-piperidin-3-ylethanol
CID 79019455
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
1-(2-ethylcyclohexyl)-2-(3-methylphenyl)ethanol
CID 63863084
1-(3-bromo-2-cyclopropylpropyl)-3-methylbenzene
CID 104819634
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (CID 65424884) is 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is Cc1cccc(CC(O)C2CCC(C(C)C)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is AQRFDJCSKAVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13(2)16-7-9-17(10-8-16)18(19)12-15-6-4-5-14(3)11-15/h4-6,11,13,16-19H,7-10,12H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 260.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 65424884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).