(2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid

C16H14O5 — CID 95931289

IUPAC(2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid
SMILESCOc1c2c(c(OC)c3ccccc13)/C(=C/C(=O)O)OC2
InChIInChI=1S/C16H14O5/c1-19-15-9-5-3-4-6-10(9)16(20-2)14-11(15)8-21-12(14)7-13(17)18/h3-7H,8H2,1-2H3,(H,17,18)/b12-7-
InChIKeyRSOYPXHFASJKSA-GHXNOFRVSA-N
MW286.28 g/mol
LogP2.81
Rot. Bonds3

About (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid

(2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid (PubChem CID 95931289) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid
PubChem CID95931289
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid
SMILESCOc1c2c(c(OC)c3ccccc13)/C(=C/C(=O)O)OC2
InChIInChI=1S/C16H14O5/c1-19-15-9-5-3-4-6-10(9)16(20-2)14-11(15)8-21-12(14)7-13(17)18/h3-7H,8H2,1-2H3,(H,17,18)/b12-7-
InChIKeyRSOYPXHFASJKSA-GHXNOFRVSA-N
XLogP2.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid (CID 95931289) is (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid is COc1c2c(c(OC)c3ccccc13)/C(=C/C(=O)O)OC2.
What is the InChIKey of (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid?
The InChIKey is RSOYPXHFASJKSA-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-15-9-5-3-4-6-10(9)16(20-2)14-11(15)8-21-12(14)7-13(17)18/h3-7H,8H2,1-2H3,(H,17,18)/b12-7-.
What are the key properties of (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid?
(2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid has a molecular weight of 286.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,9-dimethoxy-1H-benzo[f][2]benzofuran-3-ylidene)acetic acid is sourced from PubChem (CID 95931289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).