3-[(3-methoxyphenyl)methoxy]butanoic acid

C12H16O4 — CID 43536105

IUPAC3-[(3-methoxyphenyl)methoxy]butanoic acid
SMILESCOc1cccc(COC(C)CC(=O)O)c1
InChIInChI=1S/C12H16O4/c1-9(6-12(13)14)16-8-10-4-3-5-11(7-10)15-2/h3-5,7,9H,6,8H2,1-2H3,(H,13,14)
InChIKeySUANSDYXZYYWGJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.08
Rot. Bonds6

About 3-[(3-methoxyphenyl)methoxy]butanoic acid

3-[(3-methoxyphenyl)methoxy]butanoic acid (PubChem CID 43536105) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]butanoic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]butanoic acid
PubChem CID43536105
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-[(3-methoxyphenyl)methoxy]butanoic acid
SMILESCOc1cccc(COC(C)CC(=O)O)c1
InChIInChI=1S/C12H16O4/c1-9(6-12(13)14)16-8-10-4-3-5-11(7-10)15-2/h3-5,7,9H,6,8H2,1-2H3,(H,13,14)
InChIKeySUANSDYXZYYWGJ-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-[(3-methoxyphenyl)methoxy]acetic acid
CID 79356369
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
(3R)-3-[[2-[(3-methoxyphenyl)methoxy]acetyl]amino]butanoic acid
CID 97234234
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
4-[(3-bromophenyl)methoxy]pentan-2-one
CID 82826907
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]butanoic acid?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]butanoic acid (CID 43536105) is 3-[(3-methoxyphenyl)methoxy]butanoic acid.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]butanoic acid?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]butanoic acid is COc1cccc(COC(C)CC(=O)O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]butanoic acid?
The InChIKey is SUANSDYXZYYWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(6-12(13)14)16-8-10-4-3-5-11(7-10)15-2/h3-5,7,9H,6,8H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-methoxyphenyl)methoxy]butanoic acid?
3-[(3-methoxyphenyl)methoxy]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]butanoic acid is sourced from PubChem (CID 43536105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).