(3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol

C15H12F4O2 — CID 87828067

IUPAC(3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol
SMILESCOc1c(F)cccc1C(O)c1cc(C)c(F)c(F)c1F
InChIInChI=1S/C15H12F4O2/c1-7-6-9(12(18)13(19)11(7)17)14(20)8-4-3-5-10(16)15(8)21-2/h3-6,14,20H,1-2H3
InChIKeyQOFSGOHQFLNHNC-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.64
Rot. Bonds3

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

(3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol (PubChem CID 87828067) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol
PubChem CID87828067
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name(3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol
SMILESCOc1c(F)cccc1C(O)c1cc(C)c(F)c(F)c1F
InChIInChI=1S/C15H12F4O2/c1-7-6-9(12(18)13(19)11(7)17)14(20)8-4-3-5-10(16)15(8)21-2/h3-6,14,20H,1-2H3
InChIKeyQOFSGOHQFLNHNC-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-3-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103435754
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2,6-difluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432506
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-chloro-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516247
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068636
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide
CID 163265760

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol (CID 87828067) is (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol is COc1c(F)cccc1C(O)c1cc(C)c(F)c(F)c1F.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol?
The InChIKey is QOFSGOHQFLNHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-7-6-9(12(18)13(19)11(7)17)14(20)8-4-3-5-10(16)15(8)21-2/h3-6,14,20H,1-2H3.
What are the key properties of (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol?
(3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol has a molecular weight of 300.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-(2,3,4-trifluoro-5-methylphenyl)methanol is sourced from PubChem (CID 87828067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).