3-(7,8-dihydro-2H-chromen-4-yl)propanal

C12H14O2 — CID 143559704

IUPAC3-(7,8-dihydro-2H-chromen-4-yl)propanal
SMILESO=CCCC1=CCOC2=C1C=CCC2
InChIInChI=1S/C12H14O2/c13-8-3-4-10-7-9-14-12-6-2-1-5-11(10)12/h1,5,7-8H,2-4,6,9H2
InChIKeyKVIQITJYPPMSPI-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.53
Rot. Bonds3

About 3-(7,8-dihydro-2H-chromen-4-yl)propanal

3-(7,8-dihydro-2H-chromen-4-yl)propanal (PubChem CID 143559704) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(7,8-dihydro-2H-chromen-4-yl)propanal.

Molecular Properties

Compound Name3-(7,8-dihydro-2H-chromen-4-yl)propanal
PubChem CID143559704
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-(7,8-dihydro-2H-chromen-4-yl)propanal
SMILESO=CCCC1=CCOC2=C1C=CCC2
InChIInChI=1S/C12H14O2/c13-8-3-4-10-7-9-14-12-6-2-1-5-11(10)12/h1,5,7-8H,2-4,6,9H2
InChIKeyKVIQITJYPPMSPI-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

2,3,4,6-Tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59118170
7,8-Dimethyl-2,3,4,6-tetrahydrochromen-6-ide-2-carbaldehyde;yttrium
CID 59215282
2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)acetaldehyde
CID 87541323
2,5-Dihydropyrano[2,3-f]chromene-6-carbaldehyde
CID 88387916
4-Methyl-2-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 90806246
3-(2H-pyran-3-yl)propanal
CID 140707983
1,2,3,6-Tetrahydroxanthen-6-ide-4-carbaldehyde;yttrium
CID 140875307
4-Oxo-5,6-dihydrochromene-3-carbaldehyde
CID 143142975
2-(7,8-Dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 148940071
2-(5H-chromen-5-yl)acetaldehyde
CID 149715601
6,7-dihydro-5H-chromene-8-carbaldehyde
CID 174470259
6-butoxy-8H-isochromene-8-carbaldehyde
CID 174673006

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydro-2H-chromen-4-yl)propanal?
The IUPAC name of 3-(7,8-dihydro-2H-chromen-4-yl)propanal (CID 143559704) is 3-(7,8-dihydro-2H-chromen-4-yl)propanal.
What is the SMILES notation for 3-(7,8-dihydro-2H-chromen-4-yl)propanal?
The canonical SMILES for 3-(7,8-dihydro-2H-chromen-4-yl)propanal is O=CCCC1=CCOC2=C1C=CCC2.
What is the InChIKey of 3-(7,8-dihydro-2H-chromen-4-yl)propanal?
The InChIKey is KVIQITJYPPMSPI-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/h1,5,7-8H,2-4,6,9H2.
What are the key properties of 3-(7,8-dihydro-2H-chromen-4-yl)propanal?
3-(7,8-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-(7,8-dihydro-2H-chromen-4-yl)propanal is sourced from PubChem (CID 143559704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).