2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid

C10H9ClF2O3 — CID 171005263

IUPAC2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
SMILESCc1cc(Cl)cc(CC(=O)O)c1OC(F)F
InChIInChI=1S/C10H9ClF2O3/c1-5-2-7(11)3-6(4-8(14)15)9(5)16-10(12)13/h2-3,10H,4H2,1H3,(H,14,15)
InChIKeyOXLWMQQXVPVLOE-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.88
Rot. Bonds4

About 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid

2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid (PubChem CID 171005263) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
PubChem CID171005263
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
SMILESCc1cc(Cl)cc(CC(=O)O)c1OC(F)F
InChIInChI=1S/C10H9ClF2O3/c1-5-2-7(11)3-6(4-8(14)15)9(5)16-10(12)13/h2-3,10H,4H2,1H3,(H,14,15)
InChIKeyOXLWMQQXVPVLOE-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-5-chloro-2-(difluoromethoxy)-3-methylbenzene
CID 131311635
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
2-[2-(chloromethyl)-5-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171022072
ethyl 2-[5-chloro-3-cyano-2-(difluoromethoxy)phenyl]acetate
CID 134653116
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
CID 171031868
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
2-[6-(bromomethyl)-3-chloro-2-(difluoromethoxy)phenyl]acetic acid
CID 171019584
2-[5-chloro-3-(difluoromethoxy)-2-nitrophenyl]acetic acid
CID 171007645
[4-(difluoromethoxy)-3,5-dimethylphenyl]-propan-2-ylcarbamic acid
CID 70522523

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid (CID 171005263) is 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid is Cc1cc(Cl)cc(CC(=O)O)c1OC(F)F.
What is the InChIKey of 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid?
The InChIKey is OXLWMQQXVPVLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c1-5-2-7(11)3-6(4-8(14)15)9(5)16-10(12)13/h2-3,10H,4H2,1H3,(H,14,15).
What are the key properties of 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid?
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid has a molecular weight of 250.63 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid is sourced from PubChem (CID 171005263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).