6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde

C13H10O4 — CID 169454156

IUPAC6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2ccc(C=CCO)cc2c1=O
InChIInChI=1S/C13H10O4/c14-5-1-2-9-3-4-12-11(6-9)13(16)10(7-15)8-17-12/h1-4,6-8,14H,5H2
InChIKeySSMURAUKKPBNBC-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.61
Rot. Bonds3

About 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde

6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde (PubChem CID 169454156) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde
PubChem CID169454156
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2ccc(C=CCO)cc2c1=O
InChIInChI=1S/C13H10O4/c14-5-1-2-9-3-4-12-11(6-9)13(16)10(7-15)8-17-12/h1-4,6-8,14H,5H2
InChIKeySSMURAUKKPBNBC-UHFFFAOYSA-N
XLogP1.61
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-4-oxochromene-3-carbaldehyde
CID 57352082
4-(3-formyl-4-oxochromen-6-yl)but-3-ynenitrile
CID 170475755
4-(3-hydroxyprop-1-enyl)-2-methylbenzaldehyde
CID 169453244
3-(1-benzofuran-3-yl)prop-2-en-1-ol
CID 169453429
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
3-formyl-1-benzofuran-5-carboxylic acid
CID 82404275
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]chromen-4-one
CID 102368296
(2-formyl-1-oxobenzo[f]chromen-9-yl) acetate
CID 13051038
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxychromen-4-one
CID 164624979
6-fluoro-1-benzofuran-3-carbaldehyde
CID 82414998
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
3-(6-chloro-4-oxochromen-3-yl)prop-2-enoate
CID 3387838

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde?
The IUPAC name of 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde (CID 169454156) is 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde is O=Cc1coc2ccc(C=CCO)cc2c1=O.
What is the InChIKey of 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde?
The InChIKey is SSMURAUKKPBNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-5-1-2-9-3-4-12-11(6-9)13(16)10(7-15)8-17-12/h1-4,6-8,14H,5H2.
What are the key properties of 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde?
6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde has a molecular weight of 230.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyprop-1-enyl)-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 169454156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).