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

C12H14O2 — CID 104771097

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)propanal
SMILESO=CCCC1CCOc2ccccc21
InChIInChI=1S/C12H14O2/c13-8-3-4-10-7-9-14-12-6-2-1-5-11(10)12/h1-2,5-6,8,10H,3-4,7,9H2
InChIKeyDAKLZPUTFDZYBP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.53
Rot. Bonds3

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

3-(3,4-dihydro-2H-chromen-4-yl)propanal (PubChem CID 104771097) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)propanal.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)propanal
PubChem CID104771097
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)propanal
SMILESO=CCCC1CCOc2ccccc21
InChIInChI=1S/C12H14O2/c13-8-3-4-10-7-9-14-12-6-2-1-5-11(10)12/h1-2,5-6,8,10H,3-4,7,9H2
InChIKeyDAKLZPUTFDZYBP-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.53
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

2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)propanal?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)propanal (CID 104771097) is 3-(3,4-dihydro-2H-chromen-4-yl)propanal.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)propanal?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)propanal is O=CCCC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)propanal?
The InChIKey is DAKLZPUTFDZYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-3-4-10-7-9-14-12-6-2-1-5-11(10)12/h1-2,5-6,8,10H,3-4,7,9H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)propanal?
3-(3,4-dihydro-2H-chromen-4-yl)propanal has a molecular weight of 190.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)propanal is sourced from PubChem (CID 104771097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).