5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

C18H16O5 — CID 163379683

IUPAC5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1cccc(COc2ccc3oc(C)c(C(=O)O)c3c2)c1
InChIInChI=1S/C18H16O5/c1-11-17(18(19)20)15-9-14(6-7-16(15)23-11)22-10-12-4-3-5-13(8-12)21-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFCOBPFVAEWWCRG-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.03
Rot. Bonds5

About 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 163379683) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID163379683
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1cccc(COc2ccc3oc(C)c(C(=O)O)c3c2)c1
InChIInChI=1S/C18H16O5/c1-11-17(18(19)20)15-9-14(6-7-16(15)23-11)22-10-12-4-3-5-13(8-12)21-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFCOBPFVAEWWCRG-UHFFFAOYSA-N
XLogP4.03
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
5-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 988870
6-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 7198723
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
methyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
CID 700014
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
ethane;2-methyl-5-[(1-methyl-6-oxo-2-pyridinyl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380500
ethyl 5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 702026
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380318
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (CID 163379683) is 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is COc1cccc(COc2ccc3oc(C)c(C(=O)O)c3c2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is FCOBPFVAEWWCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-11-17(18(19)20)15-9-14(6-7-16(15)23-11)22-10-12-4-3-5-13(8-12)21-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163379683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).