2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol

C14H11F3O2 — CID 175253078

IUPAC2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol
SMILESCOc1ccc(C(F)c2ccccc2O)c(F)c1F
InChIInChI=1S/C14H11F3O2/c1-19-11-7-6-9(13(16)14(11)17)12(15)8-4-2-3-5-10(8)18/h2-7,12,18H,1H3
InChIKeyVLNAZCHKBHHLKV-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.74
Rot. Bonds3

About 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol

2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol (PubChem CID 175253078) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol.

Molecular Properties

Compound Name2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol
PubChem CID175253078
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol
SMILESCOc1ccc(C(F)c2ccccc2O)c(F)c1F
InChIInChI=1S/C14H11F3O2/c1-19-11-7-6-9(13(16)14(11)17)12(15)8-4-2-3-5-10(8)18/h2-7,12,18H,1H3
InChIKeyVLNAZCHKBHHLKV-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-bromoethyl)-2,3-difluoro-4-methoxybenzene
CID 174526673
1-fluoro-1-(2-methoxyphenyl)propan-2-ol
CID 105441067
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
azane;2-methoxyphenol
CID 172717837
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
2-methoxyphenol;molecular bromine
CID 141484212
methanethiol;2-methoxyphenol
CID 141484211
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol?
The IUPAC name of 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol (CID 175253078) is 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol.
What is the SMILES notation for 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol?
The canonical SMILES for 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol is COc1ccc(C(F)c2ccccc2O)c(F)c1F.
What is the InChIKey of 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol?
The InChIKey is VLNAZCHKBHHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-19-11-7-6-9(13(16)14(11)17)12(15)8-4-2-3-5-10(8)18/h2-7,12,18H,1H3.
What are the key properties of 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol?
2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol has a molecular weight of 268.23 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluoro-4-methoxyphenyl)-fluoromethyl]phenol is sourced from PubChem (CID 175253078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).