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

C19H16O5 — CID 54393001

IUPAC2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid
SMILESCC=C(C(=O)OC)C(C(=O)O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H16O5/c1-3-11(19(22)23-2)16(18(20)21)14-9-6-8-13-12-7-4-5-10-15(12)24-17(13)14/h3-10,16H,1-2H3,(H,20,21)
InChIKeyVHZJATZVCUXQHL-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.87
Rot. Bonds4

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

2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid (PubChem CID 54393001) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid
PubChem CID54393001
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid
SMILESCC=C(C(=O)OC)C(C(=O)O)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H16O5/c1-3-11(19(22)23-2)16(18(20)21)14-9-6-8-13-12-7-4-5-10-15(12)24-17(13)14/h3-10,16H,1-2H3,(H,20,21)
InChIKeyVHZJATZVCUXQHL-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-2-(4-methylpiperazin-1-yl)acetic acid
CID 59570449
1-(1-dibenzofuran-4-ylethyl)-1-hydroxyurea
CID 21293764
2-[2-(dicarboxymethyl)phenyl]propanedioic acid
CID 141274260
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
dibenzofuran;methyl phenyl carbonate
CID 158446922
4-(dimethoxymethyl)xanthen-9-one
CID 154941110
1-dibenzofuran-4-ylethanone
CID 15691981
1-dibenzofuran-4-ylethane-1,2-diamine
CID 66517310
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
N-dibenzofuran-4-ylpropanamide
CID 138533625
4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
CID 54109960
N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
CID 170489640

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid?
The IUPAC name of 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid (CID 54393001) is 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid.
What is the SMILES notation for 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid?
The canonical SMILES for 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid is CC=C(C(=O)OC)C(C(=O)O)c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid?
The InChIKey is VHZJATZVCUXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-3-11(19(22)23-2)16(18(20)21)14-9-6-8-13-12-7-4-5-10-15(12)24-17(13)14/h3-10,16H,1-2H3,(H,20,21).
What are the key properties of 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid?
2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid has a molecular weight of 324.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-3-methoxycarbonylpent-3-enoic acid is sourced from PubChem (CID 54393001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).