(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol

C17H23F3O — CID 105095256

IUPAC(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCc1ccc(C(O)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H23F3O/c1-2-4-12-7-9-13(10-8-12)16(21)14-5-3-6-15(11-14)17(18,19)20/h7-10,14-16,21H,2-6,11H2,1H3
InChIKeyHOIJCKCDJIUQSB-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.04
Rot. Bonds4

About (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol

(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105095256) has the molecular formula C17H23F3O and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105095256
Molecular FormulaC17H23F3O
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCc1ccc(C(O)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H23F3O/c1-2-4-12-7-9-13(10-8-12)16(21)14-5-3-6-15(11-14)17(18,19)20/h7-10,14-16,21H,2-6,11H2,1H3
InChIKeyHOIJCKCDJIUQSB-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082
(3-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105187981
(4-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105144448
(4-ethylcyclohexyl)-(4-propylphenyl)methanol
CID 65393723
1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
CID 112742811
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
1-[chloro(cyclohexyl)methyl]-4-propylbenzene
CID 63432346
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105095256) is (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol is CCCc1ccc(C(O)C2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is HOIJCKCDJIUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O/c1-2-4-12-7-9-13(10-8-12)16(21)14-5-3-6-15(11-14)17(18,19)20/h7-10,14-16,21H,2-6,11H2,1H3.
What are the key properties of (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 300.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105095256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).