7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde

C18H16O4 — CID 174640742

IUPAC7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde
SMILESCOc1ccccc1C1=COc2c(ccc(O)c2C)C1C=O
InChIInChI=1S/C18H16O4/c1-11-16(20)8-7-13-14(9-19)15(10-22-18(11)13)12-5-3-4-6-17(12)21-2/h3-10,14,20H,1-2H3
InChIKeyICGFWBJSZBOTAK-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.43
Rot. Bonds3

About 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde

7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde (PubChem CID 174640742) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde
PubChem CID174640742
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde
SMILESCOc1ccccc1C1=COc2c(ccc(O)c2C)C1C=O
InChIInChI=1S/C18H16O4/c1-11-16(20)8-7-13-14(9-19)15(10-22-18(11)13)12-5-3-4-6-17(12)21-2/h3-10,14,20H,1-2H3
InChIKeyICGFWBJSZBOTAK-UHFFFAOYSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde 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 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde?
The IUPAC name of 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde (CID 174640742) is 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde?
The canonical SMILES for 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde is COc1ccccc1C1=COc2c(ccc(O)c2C)C1C=O.
What is the InChIKey of 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde?
The InChIKey is ICGFWBJSZBOTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-16(20)8-7-13-14(9-19)15(10-22-18(11)13)12-5-3-4-6-17(12)21-2/h3-10,14,20H,1-2H3.
What are the key properties of 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde?
7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde has a molecular weight of 296.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(2-methoxyphenyl)-8-methyl-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174640742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).