7,8-dimethyl-4-(phenoxymethyl)chromen-2-one

C18H16O3 — CID 7818186

IUPAC7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
SMILESCc1ccc2c(COc3ccccc3)cc(=O)oc2c1C
InChIInChI=1S/C18H16O3/c1-12-8-9-16-14(10-17(19)21-18(16)13(12)2)11-20-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyFUEDDFGZVBKKDV-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.99
Rot. Bonds3

About 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one

7,8-dimethyl-4-(phenoxymethyl)chromen-2-one (PubChem CID 7818186) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one.

Molecular Properties

Compound Name7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
PubChem CID7818186
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
SMILESCc1ccc2c(COc3ccccc3)cc(=O)oc2c1C
InChIInChI=1S/C18H16O3/c1-12-8-9-16-14(10-17(19)21-18(16)13(12)2)11-20-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3
InChIKeyFUEDDFGZVBKKDV-UHFFFAOYSA-N
XLogP3.99
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethyl-4-[(4-phenylphenoxy)methyl]chromen-2-one
CID 4850177
4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
CID 7931392
7,8-dimethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one
CID 3538080
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4666775
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
CID 2552705
4-[[benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 943563
7,8-dimethyl-4-[(2-phenylethylamino)methyl]chromen-2-one
CID 7492362
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(3-bromophenoxy)butanoate
CID 3994960
4-O-[(7,8-dimethyl-2-oxochromen-4-yl)methyl] 1-O-ethyl but-2-enedioate
CID 4238078
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-acetamido-3-phenylpropanoate
CID 42898434
(7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(benzenesulfonamido)propanoate
CID 55928648

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one?
The IUPAC name of 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one (CID 7818186) is 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one.
What is the SMILES notation for 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one?
The canonical SMILES for 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one is Cc1ccc2c(COc3ccccc3)cc(=O)oc2c1C.
What is the InChIKey of 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one?
The InChIKey is FUEDDFGZVBKKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12-8-9-16-14(10-17(19)21-18(16)13(12)2)11-20-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3.
What are the key properties of 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one?
7,8-dimethyl-4-(phenoxymethyl)chromen-2-one has a molecular weight of 280.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-(phenoxymethyl)chromen-2-one is sourced from PubChem (CID 7818186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).