2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid

C16H14O3 — CID 155498945

IUPAC2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc3c(c2)OCC3)c1
InChIInChI=1S/C16H14O3/c17-16(18)9-11-2-1-3-13(8-11)14-5-4-12-6-7-19-15(12)10-14/h1-5,8,10H,6-7,9H2,(H,17,18)
InChIKeyGDLPZKLROLFOAH-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.92
Rot. Bonds3

About 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid

2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid (PubChem CID 155498945) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid
PubChem CID155498945
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc3c(c2)OCC3)c1
InChIInChI=1S/C16H14O3/c17-16(18)9-11-2-1-3-13(8-11)14-5-4-12-6-7-19-15(12)10-14/h1-5,8,10H,6-7,9H2,(H,17,18)
InChIKeyGDLPZKLROLFOAH-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid (CID 155498945) is 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc3c(c2)OCC3)c1.
What is the InChIKey of 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid?
The InChIKey is GDLPZKLROLFOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-16(18)9-11-2-1-3-13(8-11)14-5-4-12-6-7-19-15(12)10-14/h1-5,8,10H,6-7,9H2,(H,17,18).
What are the key properties of 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid?
2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid has a molecular weight of 254.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid is sourced from PubChem (CID 155498945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).