4-oxo-5,6-dihydrochromene-3-carbaldehyde

C10H8O3 — CID 143142975

IUPAC4-oxo-5,6-dihydrochromene-3-carbaldehyde
SMILESO=Cc1coc2c(c1=O)CCC=C2
InChIInChI=1S/C10H8O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h2,4-6H,1,3H2
InChIKeyUSKYMMKNMAJQEM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.41
Rot. Bonds1

About 4-oxo-5,6-dihydrochromene-3-carbaldehyde

4-oxo-5,6-dihydrochromene-3-carbaldehyde (PubChem CID 143142975) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-oxo-5,6-dihydrochromene-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-5,6-dihydrochromene-3-carbaldehyde
PubChem CID143142975
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name4-oxo-5,6-dihydrochromene-3-carbaldehyde
SMILESO=Cc1coc2c(c1=O)CCC=C2
InChIInChI=1S/C10H8O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h2,4-6H,1,3H2
InChIKeyUSKYMMKNMAJQEM-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyran-4-yl-cyclohex-2-en-1-one
CID 69351460
4h-Chromen-5(6h)-one
CID 157602217
4h-Chromen-4,5(6h)-dione
CID 129768379
5-Nonanoyl-oxin
CID 129891267
4-oxo-6H-chromen-6-ide-3-carbaldehyde;yttrium
CID 135021600
3-Butyl-4-methoxycyclohexa-3,5-diene-1,2-dione
CID 17970080
5-oxo-1H-naphthalene-2-carbaldehyde
CID 19746571
2,5-Dihydrochromen-6-one
CID 67746451
2,8-Dihydroxanthene-1,7,9-trione
CID 87571612
10-Methoxytricyclo[7.4.1.05,14]tetradeca-1(13),2,5(14),9,11-pentaen-4-one
CID 88193771
1-(4-Ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 89197946
4-Methyl-2-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 90806246

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5,6-dihydrochromene-3-carbaldehyde?
The IUPAC name of 4-oxo-5,6-dihydrochromene-3-carbaldehyde (CID 143142975) is 4-oxo-5,6-dihydrochromene-3-carbaldehyde.
What is the SMILES notation for 4-oxo-5,6-dihydrochromene-3-carbaldehyde?
The canonical SMILES for 4-oxo-5,6-dihydrochromene-3-carbaldehyde is O=Cc1coc2c(c1=O)CCC=C2.
What is the InChIKey of 4-oxo-5,6-dihydrochromene-3-carbaldehyde?
The InChIKey is USKYMMKNMAJQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h2,4-6H,1,3H2.
What are the key properties of 4-oxo-5,6-dihydrochromene-3-carbaldehyde?
4-oxo-5,6-dihydrochromene-3-carbaldehyde has a molecular weight of 176.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5,6-dihydrochromene-3-carbaldehyde is sourced from PubChem (CID 143142975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).