6-methyl-3-[(E)-prop-1-enyl]chromen-2-one

C13H12O2 — CID 135210411

IUPAC6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
SMILESC/C=C/c1cc2cc(C)ccc2oc1=O
InChIInChI=1S/C13H12O2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h3-8H,1-2H3/b4-3+
InChIKeyFOMPKPCZLYGWKU-ONEGZZNKSA-N
MW200.24 g/mol
LogP3.13
Rot. Bonds1

About 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one

6-methyl-3-[(E)-prop-1-enyl]chromen-2-one (PubChem CID 135210411) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one.

Molecular Properties

Compound Name6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
PubChem CID135210411
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
SMILESC/C=C/c1cc2cc(C)ccc2oc1=O
InChIInChI=1S/C13H12O2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h3-8H,1-2H3/b4-3+
InChIKeyFOMPKPCZLYGWKU-ONEGZZNKSA-N
XLogP3.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
6-methyl-3-prop-2-enylchromen-2-one
CID 101488026
6-methyl-2-oxochromene-3-sulfonamide
CID 141216239
3-(1-hydroxy-3-oxobut-1-enyl)-6-methylchromen-2-one
CID 132990964
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
CID 139087005
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
N-(3-formyl-2-oxochromen-6-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 177149604
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
(E)-3-(5-methyl-1-benzofuran-2-yl)prop-2-enoyl chloride
CID 10353432
2-(6-methyl-2-oxochromene-3-carbonyl)oxyacetate
CID 170530300
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran
CID 12031580

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one?
The IUPAC name of 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one (CID 135210411) is 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one.
What is the SMILES notation for 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one?
The canonical SMILES for 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one is C/C=C/c1cc2cc(C)ccc2oc1=O.
What is the InChIKey of 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one?
The InChIKey is FOMPKPCZLYGWKU-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H12O2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h3-8H,1-2H3/b4-3+.
What are the key properties of 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one?
6-methyl-3-[(E)-prop-1-enyl]chromen-2-one has a molecular weight of 200.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(E)-prop-1-enyl]chromen-2-one is sourced from PubChem (CID 135210411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).