(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol

C15H17F5O — CID 115808432

IUPAC(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESCCC1CCCC(C(O)c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C15H17F5O/c1-2-7-4-3-5-8(6-7)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h7-8,15,21H,2-6H2,1H3
InChIKeyARCXOKOJFKBOSV-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.63
Rot. Bonds3

About (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol

(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 115808432) has the molecular formula C15H17F5O and a molecular weight of 308.29 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID115808432
Molecular FormulaC15H17F5O
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC Name(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESCCC1CCCC(C(O)c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C15H17F5O/c1-2-7-4-3-5-8(6-7)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h7-8,15,21H,2-6H2,1H3
InChIKeyARCXOKOJFKBOSV-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115840535
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
5-[1-(3-ethylcyclohexyl)ethyl]-1,2,3-trifluorobenzene
CID 90991272
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
CID 66117130
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
1-(3-ethylcyclohexyl)butan-2-ol
CID 79424228
(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
CID 66130637

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol (CID 115808432) is (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol is CCC1CCCC(C(O)c2c(F)c(F)c(F)c(F)c2F)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is ARCXOKOJFKBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5O/c1-2-7-4-3-5-8(6-7)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h7-8,15,21H,2-6H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol?
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 308.29 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 115808432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).