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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Related Compounds

6-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 82402915
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
CID 139790845
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
8-amino-3,4,5,6-tetrahydro-2H-1,7-benzodioxonine-9-carbaldehyde
CID 166812127
4-methyl-1-oxo-3H-2-benzofuran-5-carbaldehyde
CID 118174393
8-methyl-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 105437322
2-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-thiophen-2-ylpyrazole-3-carbaldehyde
CID 90092854
2-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174444
3-(1,3-dioxan-2-yl)-2-methylbenzaldehyde
CID 91416344
2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
CID 86709347
7-methyl-2,3,4,5-tetrahydro-1-benzoxepine-6-carbonitrile
CID 101424758

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).