4-methyl-8-phenoxychromen-2-one

C16H12O3 — CID 86228952

IUPAC4-methyl-8-phenoxychromen-2-one
SMILESCc1cc(=O)oc2c(Oc3ccccc3)cccc12
InChIInChI=1S/C16H12O3/c1-11-10-15(17)19-16-13(11)8-5-9-14(16)18-12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyIZBKPEGGIMODBC-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.89
Rot. Bonds2

About 4-methyl-8-phenoxychromen-2-one

4-methyl-8-phenoxychromen-2-one (PubChem CID 86228952) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-8-phenoxychromen-2-one.

Molecular Properties

Compound Name4-methyl-8-phenoxychromen-2-one
PubChem CID86228952
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name4-methyl-8-phenoxychromen-2-one
SMILESCc1cc(=O)oc2c(Oc3ccccc3)cccc12
InChIInChI=1S/C16H12O3/c1-11-10-15(17)19-16-13(11)8-5-9-14(16)18-12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyIZBKPEGGIMODBC-UHFFFAOYSA-N
XLogP3.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-8-phenoxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one
CID 6408971
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
8-iodo-4-methylchromen-2-one
CID 130067017
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4,8-dimethyl-7-[2-(trifluoromethyl)quinazolin-4-yl]oxychromen-2-one
CID 39963687
7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
7-acetyloxy-4-methyl-2-oxochromene-8-carboxylic acid
CID 16638200
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenoxychromen-2-one?
The IUPAC name of 4-methyl-8-phenoxychromen-2-one (CID 86228952) is 4-methyl-8-phenoxychromen-2-one.
What is the SMILES notation for 4-methyl-8-phenoxychromen-2-one?
The canonical SMILES for 4-methyl-8-phenoxychromen-2-one is Cc1cc(=O)oc2c(Oc3ccccc3)cccc12.
What is the InChIKey of 4-methyl-8-phenoxychromen-2-one?
The InChIKey is IZBKPEGGIMODBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-11-10-15(17)19-16-13(11)8-5-9-14(16)18-12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 4-methyl-8-phenoxychromen-2-one?
4-methyl-8-phenoxychromen-2-one has a molecular weight of 252.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenoxychromen-2-one is sourced from PubChem (CID 86228952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).