2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde

C11H12O2 — CID 142734505

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
SMILESO=CCC1COc2ccccc2C1
InChIInChI=1S/C11H12O2/c12-6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,6,9H,5,7-8H2
InChIKeyOBIMHVHEDYGDOY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.83
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde

2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde (PubChem CID 142734505) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
PubChem CID142734505
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
SMILESO=CCC1COc2ccccc2C1
InChIInChI=1S/C11H12O2/c12-6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,6,9H,5,7-8H2
InChIKeyOBIMHVHEDYGDOY-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
3-pent-4-enyl-3,4-dihydro-2H-chromene
CID 163719188
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
CID 146274063
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
CID 94201312
2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
CID 142636437
3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoic acid
CID 15027459
10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
CID 150575494
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde (CID 142734505) is 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde is O=CCC1COc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde?
The InChIKey is OBIMHVHEDYGDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-4,6,9H,5,7-8H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde?
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde is sourced from PubChem (CID 142734505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).