5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde

C11H12O2 — CID 139659158

IUPAC5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde
SMILESCc1c(C=O)ccc2c1CCCO2
InChIInChI=1S/C11H12O2/c1-8-9(7-12)4-5-11-10(8)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3
InChIKeyRIFSPWNAHAYGAE-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.13
Rot. Bonds1

About 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde

5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde (PubChem CID 139659158) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde
PubChem CID139659158
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde
SMILESCc1c(C=O)ccc2c1CCCO2
InChIInChI=1S/C11H12O2/c1-8-9(7-12)4-5-11-10(8)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3
InChIKeyRIFSPWNAHAYGAE-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.13
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 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde?
The IUPAC name of 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde (CID 139659158) is 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde is Cc1c(C=O)ccc2c1CCCO2.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde?
The InChIKey is RIFSPWNAHAYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8-9(7-12)4-5-11-10(8)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde?
5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde is sourced from PubChem (CID 139659158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).