(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol

C16H15F3O — CID 63895822

IUPAC(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C16H15F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-9,15,20H,1-2H3
InChIKeyQLCDUBPRWAPCHL-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.40
Rot. Bonds2

About (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol

(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 63895822) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID63895822
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C16H15F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-9,15,20H,1-2H3
InChIKeyQLCDUBPRWAPCHL-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 134982830
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(2,3-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895919
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanol
CID 62789626
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol (CID 63895822) is (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol is Cc1cccc(C(O)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is QLCDUBPRWAPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-9,15,20H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol?
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 280.29 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63895822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).