3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol

C16H23F3O2 — CID 115787256

IUPAC3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H23F3O2/c1-3-5-13(6-4-2)15(20)11-12-7-9-14(10-8-12)21-16(17,18)19/h7-10,13,15,20H,3-6,11H2,1-2H3
InChIKeyNITWPBNCKBHARP-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.70
Rot. Bonds8

About 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol

3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol (PubChem CID 115787256) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol.

Molecular Properties

Compound Name3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
PubChem CID115787256
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
SMILESCCCC(CCC)C(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H23F3O2/c1-3-5-13(6-4-2)15(20)11-12-7-9-14(10-8-12)21-16(17,18)19/h7-10,13,15,20H,3-6,11H2,1-2H3
InChIKeyNITWPBNCKBHARP-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
CID 154277404
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-[2-(bromomethyl)butyl]-4-(trifluoromethoxy)benzene
CID 66042252
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
N-methyl-4-propoxy-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 105136599
1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 106695922
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 60995873

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
The IUPAC name of 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol (CID 115787256) is 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol.
What is the SMILES notation for 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
The canonical SMILES for 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol is CCCC(CCC)C(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
The InChIKey is NITWPBNCKBHARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-3-5-13(6-4-2)15(20)11-12-7-9-14(10-8-12)21-16(17,18)19/h7-10,13,15,20H,3-6,11H2,1-2H3.
What are the key properties of 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol has a molecular weight of 304.35 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol is sourced from PubChem (CID 115787256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).