methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate

C17H13FO4 — CID 68679956

IUPACmethyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC)cc12
InChIInChI=1S/C17H13FO4/c1-20-12-7-8-14-13(9-12)15(17(19)21-2)16(22-14)10-3-5-11(18)6-4-10/h3-9H,1-2H3
InChIKeyKBANDTLXFDOKNA-UHFFFAOYSA-N
MW300.29 g/mol
LogP4.03
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate

methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate (PubChem CID 68679956) has the molecular formula C17H13FO4 and a molecular weight of 300.29 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
PubChem CID68679956
Molecular FormulaC17H13FO4
Molecular Weight300.29 g/mol
Exact Mass300.08
IUPAC Namemethyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC)cc12
InChIInChI=1S/C17H13FO4/c1-20-12-7-8-14-13(9-12)15(17(19)21-2)16(22-14)10-3-5-11(18)6-4-10/h3-9H,1-2H3
InChIKeyKBANDTLXFDOKNA-UHFFFAOYSA-N
XLogP4.03
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193
methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
CID 150397518
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate
CID 26841548
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
methyl 2-(4-fluorophenyl)-5-methoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-3-carboxylate
CID 68684289
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
CID 67217578
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
methyl 2-(4-fluorophenyl)-6-(methanesulfonamido)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 67210939
methyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 71742621

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate (CID 68679956) is methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC)cc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
The InChIKey is KBANDTLXFDOKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c1-20-12-7-8-14-13(9-12)15(17(19)21-2)16(22-14)10-3-5-11(18)6-4-10/h3-9H,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 68679956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).