2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid

C15H13NO3 — CID 83171441

IUPAC2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2ccoc2)c2ccccc12
InChIInChI=1S/C15H13NO3/c17-15(18)7-12-9-16(8-11-5-6-19-10-11)14-4-2-1-3-13(12)14/h1-6,9-10H,7-8H2,(H,17,18)
InChIKeyILZJZPSRSIKLEM-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.91
Rot. Bonds4

About 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid

2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid (PubChem CID 83171441) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid
PubChem CID83171441
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2ccoc2)c2ccccc12
InChIInChI=1S/C15H13NO3/c17-15(18)7-12-9-16(8-11-5-6-19-10-11)14-4-2-1-3-13(12)14/h1-6,9-10H,7-8H2,(H,17,18)
InChIKeyILZJZPSRSIKLEM-UHFFFAOYSA-N
XLogP2.91
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-[1-[(3-bromophenyl)methyl]indol-3-yl]acetic acid
CID 28599779
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
CID 28783031
2-[1-(3-methylbut-2-enyl)indol-3-yl]acetic acid
CID 28599761
2-(1-benzylindol-3-yl)ethanol
CID 13134935
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
2-(1-but-3-ynylindol-3-yl)acetic acid
CID 63655086
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid (CID 83171441) is 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid is O=C(O)Cc1cn(Cc2ccoc2)c2ccccc12.
What is the InChIKey of 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid?
The InChIKey is ILZJZPSRSIKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-15(18)7-12-9-16(8-11-5-6-19-10-11)14-4-2-1-3-13(12)14/h1-6,9-10H,7-8H2,(H,17,18).
What are the key properties of 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid?
2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 83171441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).