(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C16H14ClF3O — CID 107103538

IUPAC(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1cccc(Cl)c1C
InChIInChI=1S/C16H14ClF3O/c1-9-8-11(16(18,19)20)6-7-12(9)15(21)13-4-3-5-14(17)10(13)2/h3-8,15,21H,1-2H3
InChIKeyNVPKEXMDVYDVST-UHFFFAOYSA-N
MW314.73 g/mol
LogP5.06
Rot. Bonds2

About (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107103538) has the molecular formula C16H14ClF3O and a molecular weight of 314.73 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID107103538
Molecular FormulaC16H14ClF3O
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1cccc(Cl)c1C
InChIInChI=1S/C16H14ClF3O/c1-9-8-11(16(18,19)20)6-7-12(9)15(21)13-4-3-5-14(17)10(13)2/h3-8,15,21H,1-2H3
InChIKeyNVPKEXMDVYDVST-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.73
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
CID 114979165
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751736
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
CID 130480328
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 107103538) is (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is NVPKEXMDVYDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3O/c1-9-8-11(16(18,19)20)6-7-12(9)15(21)13-4-3-5-14(17)10(13)2/h3-8,15,21H,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 314.73 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107103538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).