2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol

C17H25FO — CID 114833429

IUPAC2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol
SMILESCCC1CCCC(C(C)(O)Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FO/c1-3-13-6-4-8-15(10-13)17(2,19)12-14-7-5-9-16(18)11-14/h5,7,9,11,13,15,19H,3-4,6,8,10,12H2,1-2H3
InChIKeyWUPNWJSUHQILKC-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol

2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol (PubChem CID 114833429) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol
PubChem CID114833429
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol
SMILESCCC1CCCC(C(C)(O)Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FO/c1-3-13-6-4-8-15(10-13)17(2,19)12-14-7-5-9-16(18)11-14/h5,7,9,11,13,15,19H,3-4,6,8,10,12H2,1-2H3
InChIKeyWUPNWJSUHQILKC-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899
1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-3-fluorobenzene
CID 112571036
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833051
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
1-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
CID 63461163
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol (CID 114833429) is 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol is CCC1CCCC(C(C)(O)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol?
The InChIKey is WUPNWJSUHQILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-3-13-6-4-8-15(10-13)17(2,19)12-14-7-5-9-16(18)11-14/h5,7,9,11,13,15,19H,3-4,6,8,10,12H2,1-2H3.
What are the key properties of 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol?
2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol has a molecular weight of 264.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-1-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114833429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).