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

C18H16O3 — CID 62381402

IUPAC5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCc1c(C(=O)O)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H16O3/c1-2-6-14-15-11-13(12-7-4-3-5-8-12)9-10-16(15)21-17(14)18(19)20/h3-5,7-11H,2,6H2,1H3,(H,19,20)
InChIKeyJQERGARABQHZBB-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.75
Rot. Bonds4

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

5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid (PubChem CID 62381402) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
PubChem CID62381402
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
SMILESCCCc1c(C(=O)O)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H16O3/c1-2-6-14-15-11-13(12-7-4-3-5-8-12)9-10-16(15)21-17(14)18(19)20/h3-5,7-11H,2,6H2,1H3,(H,19,20)
InChIKeyJQERGARABQHZBB-UHFFFAOYSA-N
XLogP4.75
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
5-phenyl-3-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 18963782
3-(propylaminomethyl)-1-benzofuran-2-carboxylic acid
CID 103235081
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
3-ethyl-2-methyl-6-phenyl-1-benzofuran
CID 167310518
7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 143904980
6-phenyl-2-benzofuran-1-carboxylic acid
CID 67797449
(8-phenyldibenzofuran-1-yl)boronic acid
CID 123712024
5,7-dibromo-3-propyl-1-benzofuran-2-carboxylic acid
CID 114359150
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 114358931

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid (CID 62381402) is 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid is CCCc1c(C(=O)O)oc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid?
The InChIKey is JQERGARABQHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-6-14-15-11-13(12-7-4-3-5-8-12)9-10-16(15)21-17(14)18(19)20/h3-5,7-11H,2,6H2,1H3,(H,19,20).
What are the key properties of 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid?
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 62381402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).