2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid

C11H13BrO4 — CID 103224152

IUPAC2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
SMILESCOCC(OCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H13BrO4/c1-15-7-10(11(13)14)16-6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyDTXUSEUWKANUCH-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.07
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid

2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid (PubChem CID 103224152) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
PubChem CID103224152
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid
SMILESCOCC(OCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H13BrO4/c1-15-7-10(11(13)14)16-6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyDTXUSEUWKANUCH-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methoxy]pentanoic acid
CID 83037540
methyl (2R)-2-[(4-bromophenyl)methoxy]pentanoate
CID 11381066
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
2-[(4-bromophenyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide
CID 22235980
3-(4-bromophenyl)-2-butoxypropanoic acid
CID 133245447
2-phenylmethoxybutanoic acid
CID 11816388
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
3-(3-bromophenyl)-2-phenylmethoxypropanoic acid
CID 133245426
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid (CID 103224152) is 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid is COCC(OCc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid?
The InChIKey is DTXUSEUWKANUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-15-7-10(11(13)14)16-6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid?
2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid has a molecular weight of 289.12 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-3-methoxypropanoic acid is sourced from PubChem (CID 103224152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).