2,2,5-trimethylchromene-6-carbaldehyde

C13H14O2 — CID 118199611

IUPAC2,2,5-trimethylchromene-6-carbaldehyde
SMILESCc1c(C=O)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C13H14O2/c1-9-10(8-14)4-5-12-11(9)6-7-13(2,3)15-12/h4-8H,1-3H3
InChIKeyBMAZTRXKLGZEIS-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.99
Rot. Bonds1

About 2,2,5-trimethylchromene-6-carbaldehyde

2,2,5-trimethylchromene-6-carbaldehyde (PubChem CID 118199611) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,2,5-trimethylchromene-6-carbaldehyde.

Molecular Properties

Compound Name2,2,5-trimethylchromene-6-carbaldehyde
PubChem CID118199611
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2,2,5-trimethylchromene-6-carbaldehyde
SMILESCc1c(C=O)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C13H14O2/c1-9-10(8-14)4-5-12-11(9)6-7-13(2,3)15-12/h4-8H,1-3H3
InChIKeyBMAZTRXKLGZEIS-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.99
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 2,2,5-trimethylchromene-6-carbaldehyde?
The IUPAC name of 2,2,5-trimethylchromene-6-carbaldehyde (CID 118199611) is 2,2,5-trimethylchromene-6-carbaldehyde.
What is the SMILES notation for 2,2,5-trimethylchromene-6-carbaldehyde?
The canonical SMILES for 2,2,5-trimethylchromene-6-carbaldehyde is Cc1c(C=O)ccc2c1C=CC(C)(C)O2.
What is the InChIKey of 2,2,5-trimethylchromene-6-carbaldehyde?
The InChIKey is BMAZTRXKLGZEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-10(8-14)4-5-12-11(9)6-7-13(2,3)15-12/h4-8H,1-3H3.
What are the key properties of 2,2,5-trimethylchromene-6-carbaldehyde?
2,2,5-trimethylchromene-6-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylchromene-6-carbaldehyde is sourced from PubChem (CID 118199611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).