1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol

C16H21F3O2 — CID 104658752

IUPAC1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCOc1ccccc1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H21F3O2/c1-2-10-21-14-8-4-3-7-13(14)15(20)9-5-6-12(11-15)16(17,18)19/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3
InChIKeyKJTHKBDRUHVIGG-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.42
Rot. Bonds4

About 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 104658752) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID104658752
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCOc1ccccc1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H21F3O2/c1-2-10-21-14-8-4-3-7-13(14)15(20)9-5-6-12(11-15)16(17,18)19/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3
InChIKeyKJTHKBDRUHVIGG-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
3-(2-propoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104658545
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757033
1-ethyl-4-(2-propoxyphenyl)piperidin-4-ol
CID 104658514
2-ethyl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 104658729
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 104658752) is 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol is CCCOc1ccccc1C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KJTHKBDRUHVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-2-10-21-14-8-4-3-7-13(14)15(20)9-5-6-12(11-15)16(17,18)19/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 302.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 104658752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).