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

C14H19F3O2 — CID 65148408

IUPAC3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-3-4-10(2)9-13(18)11-5-7-12(8-6-11)19-14(15,16)17/h5-8,10,13,18H,3-4,9H2,1-2H3
InChIKeySBSDNSOWSOWYRI-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.44
Rot. Bonds6

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

3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol (PubChem CID 65148408) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
PubChem CID65148408
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-3-4-10(2)9-13(18)11-5-7-12(8-6-11)19-14(15,16)17/h5-8,10,13,18H,3-4,9H2,1-2H3
InChIKeySBSDNSOWSOWYRI-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
CID 107105020
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
CID 62941484
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
CID 79980578
4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 65148112
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 91327387

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol?
The IUPAC name of 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol (CID 65148408) is 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol is CCCC(C)CC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol?
The InChIKey is SBSDNSOWSOWYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-3-4-10(2)9-13(18)11-5-7-12(8-6-11)19-14(15,16)17/h5-8,10,13,18H,3-4,9H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol?
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol is sourced from PubChem (CID 65148408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).