[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol

C15H9ClF6O — CID 54576991

IUPAC[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H9ClF6O/c16-10-4-1-8(2-5-10)13(23)11-6-3-9(14(17,18)19)7-12(11)15(20,21)22/h1-7,13,23H
InChIKeyOWCQTDOBHGSSID-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.46
Rot. Bonds2

About [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol

[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol (PubChem CID 54576991) has the molecular formula C15H9ClF6O and a molecular weight of 354.68 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
PubChem CID54576991
Molecular FormulaC15H9ClF6O
Molecular Weight354.68 g/mol
Exact Mass354.02
IUPAC Name[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H9ClF6O/c16-10-4-1-8(2-5-10)13(23)11-6-3-9(14(17,18)19)7-12(11)15(20,21)22/h1-7,13,23H
InChIKeyOWCQTDOBHGSSID-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
(1R,2S)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171264197
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
[2,4-bis(trifluoromethyl)phenyl]-cyclopropylmethanol
CID 139965713
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
The IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol (CID 54576991) is [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
The canonical SMILES for [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
The InChIKey is OWCQTDOBHGSSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF6O/c16-10-4-1-8(2-5-10)13(23)11-6-3-9(14(17,18)19)7-12(11)15(20,21)22/h1-7,13,23H.
What are the key properties of [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol has a molecular weight of 354.68 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 54576991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).