2-methyl-8-[(E)-prop-1-enyl]chromen-4-one

C13H12O2 — CID 57438887

IUPAC2-methyl-8-[(E)-prop-1-enyl]chromen-4-one
SMILESC/C=C/c1cccc2c(=O)cc(C)oc12
InChIInChI=1S/C13H12O2/c1-3-5-10-6-4-7-11-12(14)8-9(2)15-13(10)11/h3-8H,1-2H3/b5-3+
InChIKeyBDLGSYYVWQPEMH-HWKANZROSA-N
MW200.24 g/mol
LogP3.13
Rot. Bonds1

About 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one

2-methyl-8-[(E)-prop-1-enyl]chromen-4-one (PubChem CID 57438887) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one.

Molecular Properties

Compound Name2-methyl-8-[(E)-prop-1-enyl]chromen-4-one
PubChem CID57438887
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-methyl-8-[(E)-prop-1-enyl]chromen-4-one
SMILESC/C=C/c1cccc2c(=O)cc(C)oc12
InChIInChI=1S/C13H12O2/c1-3-5-10-6-4-7-11-12(14)8-9(2)15-13(10)11/h3-8H,1-2H3/b5-3+
InChIKeyBDLGSYYVWQPEMH-HWKANZROSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one?
The IUPAC name of 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one (CID 57438887) is 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one.
What is the SMILES notation for 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one?
The canonical SMILES for 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one is C/C=C/c1cccc2c(=O)cc(C)oc12.
What is the InChIKey of 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one?
The InChIKey is BDLGSYYVWQPEMH-HWKANZROSA-N. The full InChI is InChI=1S/C13H12O2/c1-3-5-10-6-4-7-11-12(14)8-9(2)15-13(10)11/h3-8H,1-2H3/b5-3+.
What are the key properties of 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one?
2-methyl-8-[(E)-prop-1-enyl]chromen-4-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 2-methyl-8-[(E)-prop-1-enyl]chromen-4-one is sourced from PubChem (CID 57438887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).