2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid

C22H16O4 — CID 696231

IUPAC2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H16O4/c23-22(24)20-18-13-17(25-14-15-7-3-1-4-8-15)11-12-19(18)26-21(20)16-9-5-2-6-10-16/h1-13H,14H2,(H,23,24)
InChIKeyVSCDYDUDSRVDAO-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.38
Rot. Bonds5

About 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid

2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid (PubChem CID 696231) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
PubChem CID696231
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H16O4/c23-22(24)20-18-13-17(25-14-15-7-3-1-4-8-15)11-12-19(18)26-21(20)16-9-5-2-6-10-16/h1-13H,14H2,(H,23,24)
InChIKeyVSCDYDUDSRVDAO-UHFFFAOYSA-N
XLogP5.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70692505
ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
CID 68682648
1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine
CID 13020578
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
ethyl 5-[[3-[hydroxy(oxido)amino]phenyl]methoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 163177086
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid (CID 696231) is 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
The InChIKey is VSCDYDUDSRVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c23-22(24)20-18-13-17(25-14-15-7-3-1-4-8-15)11-12-19(18)26-21(20)16-9-5-2-6-10-16/h1-13H,14H2,(H,23,24).
What are the key properties of 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid?
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 696231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).