2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid

C10H10BrFO3 — CID 171024915

IUPAC2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
SMILESCOc1cc(F)cc(CBr)c1CC(=O)O
InChIInChI=1S/C10H10BrFO3/c1-15-9-3-7(12)2-6(5-11)8(9)4-10(13)14/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyKFONXZZRDDYNDH-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid

2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid (PubChem CID 171024915) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
PubChem CID171024915
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
SMILESCOc1cc(F)cc(CBr)c1CC(=O)O
InChIInChI=1S/C10H10BrFO3/c1-15-9-3-7(12)2-6(5-11)8(9)4-10(13)14/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyKFONXZZRDDYNDH-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
CID 130936683
methyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017298
2-[4-(bromomethyl)-2-methoxy-6-methylphenyl]acetic acid
CID 171011048
methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
CID 171017402
ethyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017711
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
2-[3-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetic acid
CID 130139281
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-[5-(bromomethyl)-4-methoxy-2-nitrophenyl]acetic acid
CID 171011245
4-(2-bromo-5-fluoro-3-methoxyphenyl)butanoic acid
CID 117470028
5-(bromomethyl)-2-fluoro-4-methoxybenzoic acid
CID 171025252
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid (CID 171024915) is 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid is COc1cc(F)cc(CBr)c1CC(=O)O.
What is the InChIKey of 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid?
The InChIKey is KFONXZZRDDYNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-15-9-3-7(12)2-6(5-11)8(9)4-10(13)14/h2-3H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid?
2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid has a molecular weight of 277.09 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid is sourced from PubChem (CID 171024915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).