3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid

C22H16O3 — CID 142017929

IUPAC3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid
SMILESC=C(Cc1ccc2c(oc3ccccc32)c1C(=O)O)c1ccccc1
InChIInChI=1S/C22H16O3/c1-14(15-7-3-2-4-8-15)13-16-11-12-18-17-9-5-6-10-19(17)25-21(18)20(16)22(23)24/h2-12H,1,13H2,(H,23,24)
InChIKeyFARGRMNILHJDHX-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.54
Rot. Bonds4

About 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid

3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid (PubChem CID 142017929) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid
PubChem CID142017929
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid
SMILESC=C(Cc1ccc2c(oc3ccccc32)c1C(=O)O)c1ccccc1
InChIInChI=1S/C22H16O3/c1-14(15-7-3-2-4-8-15)13-16-11-12-18-17-9-5-6-10-19(17)25-21(18)20(16)22(23)24/h2-12H,1,13H2,(H,23,24)
InChIKeyFARGRMNILHJDHX-UHFFFAOYSA-N
XLogP5.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one
CID 122393898
3-prop-2-enyldibenzofuran-4-ol
CID 59860896
2-chloro-1-benzofuran-3-carboxylic acid
CID 83818774
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
N-(2,4-diethyldibenzofuran-1-yl)benzamide
CID 123671650
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
CID 146645135
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
1-dibenzofuran-4-ylethanone
CID 15691981
(3-formyldibenzofuran-4-yl)boronic acid
CID 142742375
2-methyldibenzofuran-4-carboxylic acid
CID 167268287

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid?
The IUPAC name of 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid (CID 142017929) is 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid.
What is the SMILES notation for 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid?
The canonical SMILES for 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid is C=C(Cc1ccc2c(oc3ccccc32)c1C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid?
The InChIKey is FARGRMNILHJDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-14(15-7-3-2-4-8-15)13-16-11-12-18-17-9-5-6-10-19(17)25-21(18)20(16)22(23)24/h2-12H,1,13H2,(H,23,24).
What are the key properties of 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid?
3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylprop-2-enyl)dibenzofuran-4-carboxylic acid is sourced from PubChem (CID 142017929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).