2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde

C17H14O3 — CID 14971304

IUPAC2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde
SMILESCC1Oc2ccc(Oc3ccccc3)cc2C=C1C=O
InChIInChI=1S/C17H14O3/c1-12-14(11-18)9-13-10-16(7-8-17(13)19-12)20-15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyFNNIMEWRSQANAQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde

2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde (PubChem CID 14971304) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde
PubChem CID14971304
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde
SMILESCC1Oc2ccc(Oc3ccccc3)cc2C=C1C=O
InChIInChI=1S/C17H14O3/c1-12-14(11-18)9-13-10-16(7-8-17(13)19-12)20-15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyFNNIMEWRSQANAQ-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-phenoxy-2H-chromene-3-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 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde?
The IUPAC name of 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde (CID 14971304) is 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde is CC1Oc2ccc(Oc3ccccc3)cc2C=C1C=O.
What is the InChIKey of 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde?
The InChIKey is FNNIMEWRSQANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12-14(11-18)9-13-10-16(7-8-17(13)19-12)20-15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde?
2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenoxy-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 14971304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).