2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid

C15H16O4 — CID 63000304

IUPAC2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(Cc2ccco2)C(=O)O)c1
InChIInChI=1S/C15H16O4/c1-18-13-5-2-4-11(9-13)8-12(15(16)17)10-14-6-3-7-19-14/h2-7,9,12H,8,10H2,1H3,(H,16,17)
InChIKeyHFBNCDHXRYFYHQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.77
Rot. Bonds6

About 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid

2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 63000304) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
PubChem CID63000304
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(Cc2ccco2)C(=O)O)c1
InChIInChI=1S/C15H16O4/c1-18-13-5-2-4-11(9-13)8-12(15(16)17)10-14-6-3-7-19-14/h2-7,9,12H,8,10H2,1H3,(H,16,17)
InChIKeyHFBNCDHXRYFYHQ-UHFFFAOYSA-N
XLogP2.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
2-[(3-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79419135
[1-(furan-2-yl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205240
2-[(5-ethylthiophen-2-yl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793231
4-methoxy-2-[(3-methoxyphenyl)methyl]butanoic acid
CID 60793375
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 79418575
2-[(2-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793232
2-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanoic acid
CID 112513556
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid (CID 63000304) is 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid is COc1cccc(CC(Cc2ccco2)C(=O)O)c1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is HFBNCDHXRYFYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-13-5-2-4-11(9-13)8-12(15(16)17)10-14-6-3-7-19-14/h2-7,9,12H,8,10H2,1H3,(H,16,17).
What are the key properties of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid?
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 63000304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).