2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid

C15H12F2O3 — CID 105344812

IUPAC2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O3/c16-12-5-6-14(13(17)8-12)20-9-11-3-1-10(2-4-11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyNQBZLQPBTDXMLX-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.17
Rot. Bonds5

About 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid

2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid (PubChem CID 105344812) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
PubChem CID105344812
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O3/c16-12-5-6-14(13(17)8-12)20-9-11-3-1-10(2-4-11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyNQBZLQPBTDXMLX-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
sodium;4-[(2,4-difluorophenoxy)methyl]benzenesulfinic acid;hydride
CID 173164655
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
methyl 4-[(2,4-difluorophenoxy)methyl]-2-fluorobenzoate
CID 103749651
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
CID 154827727
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid (CID 105344812) is 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(COc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is NQBZLQPBTDXMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-12-5-6-14(13(17)8-12)20-9-11-3-1-10(2-4-11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid?
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid has a molecular weight of 278.25 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 105344812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).