4-methyl-2H-chromene-2-carbaldehyde

C11H10O2 — CID 174428851

IUPAC4-methyl-2H-chromene-2-carbaldehyde
SMILESCC1=CC(C=O)Oc2ccccc21
InChIInChI=1S/C11H10O2/c1-8-6-9(7-12)13-11-5-3-2-4-10(8)11/h2-7,9H,1H3
InChIKeyIBZQZQRRAMAIHS-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.05
Rot. Bonds1

About 4-methyl-2H-chromene-2-carbaldehyde

4-methyl-2H-chromene-2-carbaldehyde (PubChem CID 174428851) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methyl-2H-chromene-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2H-chromene-2-carbaldehyde
PubChem CID174428851
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name4-methyl-2H-chromene-2-carbaldehyde
SMILESCC1=CC(C=O)Oc2ccccc21
InChIInChI=1S/C11H10O2/c1-8-6-9(7-12)13-11-5-3-2-4-10(8)11/h2-7,9H,1H3
InChIKeyIBZQZQRRAMAIHS-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-chromene-2-carbaldehyde?
The IUPAC name of 4-methyl-2H-chromene-2-carbaldehyde (CID 174428851) is 4-methyl-2H-chromene-2-carbaldehyde.
What is the SMILES notation for 4-methyl-2H-chromene-2-carbaldehyde?
The canonical SMILES for 4-methyl-2H-chromene-2-carbaldehyde is CC1=CC(C=O)Oc2ccccc21.
What is the InChIKey of 4-methyl-2H-chromene-2-carbaldehyde?
The InChIKey is IBZQZQRRAMAIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-6-9(7-12)13-11-5-3-2-4-10(8)11/h2-7,9H,1H3.
What are the key properties of 4-methyl-2H-chromene-2-carbaldehyde?
4-methyl-2H-chromene-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-chromene-2-carbaldehyde is sourced from PubChem (CID 174428851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).