2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid

C10H10BrFO4 — CID 117472876

IUPAC2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)c(F)c(Br)c1OC
InChIInChI=1S/C10H10BrFO4/c1-15-6-3-5(4-7(13)14)9(12)8(11)10(6)16-2/h3H,4H2,1-2H3,(H,13,14)
InChIKeyLMTPGKIADRQQAQ-UHFFFAOYSA-N
MW293.09 g/mol
LogP2.23
Rot. Bonds4

About 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid (PubChem CID 117472876) has the molecular formula C10H10BrFO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
PubChem CID117472876
Molecular FormulaC10H10BrFO4
Molecular Weight293.09 g/mol
Exact Mass291.97
IUPAC Name2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)c(F)c(Br)c1OC
InChIInChI=1S/C10H10BrFO4/c1-15-6-3-5(4-7(13)14)9(12)8(11)10(6)16-2/h3H,4H2,1-2H3,(H,13,14)
InChIKeyLMTPGKIADRQQAQ-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493
2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 117348841
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
5-bromo-4-(carboxymethyl)-2-methoxybenzoic acid
CID 67529429

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid (CID 117472876) is 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid is COc1cc(CC(=O)O)c(F)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid?
The InChIKey is LMTPGKIADRQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO4/c1-15-6-3-5(4-7(13)14)9(12)8(11)10(6)16-2/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid?
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid has a molecular weight of 293.09 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117472876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).