(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol

C15H19F3O — CID 115808567

IUPAC(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
SMILESCCC1CCCC(C(O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C15H19F3O/c1-2-9-4-3-5-10(6-9)15(19)14-12(17)7-11(16)8-13(14)18/h7-10,15,19H,2-6H2,1H3
InChIKeyNUBLZGFTHQOEJS-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.35
Rot. Bonds3

About (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol

(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 115808567) has the molecular formula C15H19F3O and a molecular weight of 272.31 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID115808567
Molecular FormulaC15H19F3O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
SMILESCCC1CCCC(C(O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C15H19F3O/c1-2-9-4-3-5-10(6-9)15(19)14-12(17)7-11(16)8-13(14)18/h7-10,15,19H,2-6H2,1H3
InChIKeyNUBLZGFTHQOEJS-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
(S)-(3,5-difluorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol
CID 160948518
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
5-[1-(3-ethylcyclohexyl)ethyl]-1,2,3-trifluorobenzene
CID 90991272
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
CID 105104394
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methanol
CID 105104447
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 115808444

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol (CID 115808567) is (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol is CCC1CCCC(C(O)c2c(F)cc(F)cc2F)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is NUBLZGFTHQOEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O/c1-2-9-4-3-5-10(6-9)15(19)14-12(17)7-11(16)8-13(14)18/h7-10,15,19H,2-6H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol?
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 272.31 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 115808567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).