[3-butyl-5-(trifluoromethyl)phenyl]methanol

C12H15F3O — CID 118268639

IUPAC[3-butyl-5-(trifluoromethyl)phenyl]methanol
SMILESCCCCc1cc(CO)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-2-3-4-9-5-10(8-16)7-11(6-9)12(13,14)15/h5-7,16H,2-4,8H2,1H3
InChIKeyNZQQTNDRHMVVRY-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.54
Rot. Bonds4

About [3-butyl-5-(trifluoromethyl)phenyl]methanol

[3-butyl-5-(trifluoromethyl)phenyl]methanol (PubChem CID 118268639) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is [3-butyl-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-butyl-5-(trifluoromethyl)phenyl]methanol
PubChem CID118268639
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name[3-butyl-5-(trifluoromethyl)phenyl]methanol
SMILESCCCCc1cc(CO)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-2-3-4-9-5-10(8-16)7-11(6-9)12(13,14)15/h5-7,16H,2-4,8H2,1H3
InChIKeyNZQQTNDRHMVVRY-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-butyl-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-butyl-5-(trifluoromethyl)phenyl]methanol (CID 118268639) is [3-butyl-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-butyl-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-butyl-5-(trifluoromethyl)phenyl]methanol is CCCCc1cc(CO)cc(C(F)(F)F)c1.
What is the InChIKey of [3-butyl-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is NZQQTNDRHMVVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-2-3-4-9-5-10(8-16)7-11(6-9)12(13,14)15/h5-7,16H,2-4,8H2,1H3.
What are the key properties of [3-butyl-5-(trifluoromethyl)phenyl]methanol?
[3-butyl-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 232.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 118268639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).