methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate

C17H14O4 — CID 142441350

IUPACmethyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c2ccoc12
InChIInChI=1S/C17H14O4/c1-19-17(18)14-7-8-15(13-9-10-20-16(13)14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyPLYVPVVUKPKQMH-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.80
Rot. Bonds4

About methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate

methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate (PubChem CID 142441350) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
PubChem CID142441350
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Namemethyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c2ccoc12
InChIInChI=1S/C17H14O4/c1-19-17(18)14-7-8-15(13-9-10-20-16(13)14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyPLYVPVVUKPKQMH-UHFFFAOYSA-N
XLogP3.80
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
dimethyl 4-phenylmethoxy-3-(5-phenylpentoxy)benzene-1,2-dicarboxylate
CID 139783989
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate
CID 177153407
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate
CID 139783928
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate (CID 142441350) is methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate is COC(=O)c1ccc(OCc2ccccc2)c2ccoc12.
What is the InChIKey of methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate?
The InChIKey is PLYVPVVUKPKQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-17(18)14-7-8-15(13-9-10-20-16(13)14)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate?
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate is sourced from PubChem (CID 142441350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).