(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol

C14H10F4O — CID 62964628

IUPAC(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F4O/c1-7-2-3-8(15)6-10(7)14(19)9-4-5-11(16)13(18)12(9)17/h2-6,14,19H,1H3
InChIKeyNPVZIBPGTQGVPT-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.63
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol

(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 62964628) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID62964628
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F4O/c1-7-2-3-8(15)6-10(7)14(19)9-4-5-11(16)13(18)12(9)17/h2-6,14,19H,1H3
InChIKeyNPVZIBPGTQGVPT-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(2,3-difluoro-4-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 107516130
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol (CID 62964628) is (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol is Cc1ccc(F)cc1C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is NPVZIBPGTQGVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-7-2-3-8(15)6-10(7)14(19)9-4-5-11(16)13(18)12(9)17/h2-6,14,19H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol?
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 270.23 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 62964628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).