2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one

C20H15ClO3 — CID 122537825

IUPAC2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
SMILESCc1c(CCl)oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc12
InChIInChI=1S/C20H15ClO3/c1-11-14-8-16-15(13-6-4-3-5-7-13)9-18(22)24-20(16)12(2)19(14)23-17(11)10-21/h3-9H,10H2,1-2H3
InChIKeyRGJYYSICBALPPL-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.56
Rot. Bonds2

About 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one

2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one (PubChem CID 122537825) has the molecular formula C20H15ClO3 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
PubChem CID122537825
Molecular FormulaC20H15ClO3
Molecular Weight338.79 g/mol
Exact Mass338.07
IUPAC Name2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
SMILESCc1c(CCl)oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc12
InChIInChI=1S/C20H15ClO3/c1-11-14-8-16-15(13-6-4-3-5-7-13)9-18(22)24-20(16)12(2)19(14)23-17(11)10-21/h3-9H,10H2,1-2H3
InChIKeyRGJYYSICBALPPL-UHFFFAOYSA-N
XLogP5.56
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-9-methyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537743
2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one
CID 122537787
7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
CID 122537803
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
CID 978425
(8-methyl-2-oxo-4-phenylchromen-7-yl) benzenesulfonate
CID 2291880
2-methyl-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid
CID 20991063
8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
CID 22889016
5-(4-methoxyphenyl)-3,9-dimethylfuro[3,2-g]chromen-7-one
CID 707772
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
6-methyl-4,5-diphenylpyran-2-one
CID 71359580

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one (CID 122537825) is 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one is Cc1c(CCl)oc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc12.
What is the InChIKey of 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is RGJYYSICBALPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO3/c1-11-14-8-16-15(13-6-4-3-5-7-13)9-18(22)24-20(16)12(2)19(14)23-17(11)10-21/h3-9H,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one?
2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 338.79 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 122537825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).