4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid

C19H16O5 — CID 54109960

IUPAC4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
SMILESCOC(=O)C(CC(=O)O)=C(C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H16O5/c1-11(14(10-18(20)21)19(22)23-2)12-7-8-17-15(9-12)13-5-3-4-6-16(13)24-17/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyNGKAPFLZEDIENE-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.01
Rot. Bonds4

About 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid

4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid (PubChem CID 54109960) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
PubChem CID54109960
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
SMILESCOC(=O)C(CC(=O)O)=C(C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H16O5/c1-11(14(10-18(20)21)19(22)23-2)12-7-8-17-15(9-12)13-5-3-4-6-16(13)24-17/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyNGKAPFLZEDIENE-UHFFFAOYSA-N
XLogP4.01
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl dibenzofuran-2-carboxylate
CID 3702628
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
N-propyldibenzofuran-2-carboxamide
CID 19048225
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
2-prop-1-en-2-yldibenzofuran
CID 142504770
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
2-formamidoacetic acid;2-methyldibenzofuran
CID 169198330
3-dibenzofuran-2-ylpropanoic acid
CID 2728916
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid?
The IUPAC name of 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid (CID 54109960) is 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid.
What is the SMILES notation for 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid?
The canonical SMILES for 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid is COC(=O)C(CC(=O)O)=C(C)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid?
The InChIKey is NGKAPFLZEDIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-11(14(10-18(20)21)19(22)23-2)12-7-8-17-15(9-12)13-5-3-4-6-16(13)24-17/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid?
4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid has a molecular weight of 324.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid is sourced from PubChem (CID 54109960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).