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

C19H17FO3 — CID 150397518

IUPACmethyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C(C)C)cc12
InChIInChI=1S/C19H17FO3/c1-11(2)13-6-9-16-15(10-13)17(19(21)22-3)18(23-16)12-4-7-14(20)8-5-12/h4-11H,1-3H3
InChIKeyHDBDXBRFAHBGGF-UHFFFAOYSA-N
MW312.34 g/mol
LogP5.15
Rot. Bonds3

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

methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate (PubChem CID 150397518) has the molecular formula C19H17FO3 and a molecular weight of 312.34 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
PubChem CID150397518
Molecular FormulaC19H17FO3
Molecular Weight312.34 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C(C)C)cc12
InChIInChI=1S/C19H17FO3/c1-11(2)13-6-9-16-15(10-13)17(19(21)22-3)18(23-16)12-4-7-14(20)8-5-12/h4-11H,1-3H3
InChIKeyHDBDXBRFAHBGGF-UHFFFAOYSA-N
XLogP5.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.34
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193
methyl 2-(4-fluorophenyl)-6-(methanesulfonamido)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 67210939
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
CID 67217578
methyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 71742621
methyl 2-(4-fluorophenyl)-5-methoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-3-carboxylate
CID 68684289
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
CID 86640863
methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate
CID 68735912
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
carbamoyl 6-chloro-2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 91485530

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate (CID 150397518) is methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C(C)C)cc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate?
The InChIKey is HDBDXBRFAHBGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3/c1-11(2)13-6-9-16-15(10-13)17(19(21)22-3)18(23-16)12-4-7-14(20)8-5-12/h4-11H,1-3H3.
What are the key properties of methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate?
methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate has a molecular weight of 312.34 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-5-propan-2-yl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 150397518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).