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

C14H10F4O — CID 62790310

IUPAC(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H10F4O/c1-7-2-3-10(15)9(4-7)14(19)8-5-11(16)13(18)12(17)6-8/h2-6,14,19H,1H3
InChIKeyNHOIHZWFZHUVPZ-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.63
Rot. Bonds2

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

(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 62790310) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
PubChem CID62790310
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H10F4O/c1-7-2-3-10(15)9(4-7)14(19)8-5-11(16)13(18)12(17)6-8/h2-6,14,19H,1H3
InChIKeyNHOIHZWFZHUVPZ-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

(2,3-difluoro-4-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 107516130
[3-(difluoromethyl)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 115527738
(2,3-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63894755
(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
[3-(dimethylamino)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 105094125
(2-fluoro-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 62791138
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63426915
3-[(2-fluoro-5-methylphenyl)-hydroxymethyl]benzonitrile
CID 113318876
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol (CID 62790310) is (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol is Cc1ccc(F)c(C(O)c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is NHOIHZWFZHUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-7-2-3-10(15)9(4-7)14(19)8-5-11(16)13(18)12(17)6-8/h2-6,14,19H,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol?
(2-fluoro-5-methylphenyl)-(3,4,5-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 (2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 62790310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).