2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid

C16H14ClFO4 — CID 70673149

IUPAC2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
SMILESCOCc1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(F)c1
InChIInChI=1S/C16H14ClFO4/c1-21-8-10-2-4-12(14(18)6-10)13-7-11(17)3-5-15(13)22-9-16(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyDKPMQSKISAQKJZ-UHFFFAOYSA-N
MW324.74 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid

2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid (PubChem CID 70673149) has the molecular formula C16H14ClFO4 and a molecular weight of 324.74 g/mol. Its IUPAC name is 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
PubChem CID70673149
Molecular FormulaC16H14ClFO4
Molecular Weight324.74 g/mol
Exact Mass324.06
IUPAC Name2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
SMILESCOCc1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(F)c1
InChIInChI=1S/C16H14ClFO4/c1-21-8-10-2-4-12(14(18)6-10)13-7-11(17)3-5-15(13)22-9-16(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyDKPMQSKISAQKJZ-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
CID 54586637
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[4-chloro-2-(5-fluoro-2-phenylmethoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-8-yl)phenoxy]acetic acid
CID 126597256
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
2-[2-(4-ethylsulfonyl-2-fluorophenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333663
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
2-[4-chloro-2-(3-fluoro-5-methoxybenzoyl)phenoxy]acetic acid
CID 58618193
2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
CID 70673214
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid (CID 70673149) is 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid is COCc1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid?
The InChIKey is DKPMQSKISAQKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO4/c1-21-8-10-2-4-12(14(18)6-10)13-7-11(17)3-5-15(13)22-9-16(19)20/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid?
2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid has a molecular weight of 324.74 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 70673149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).