2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one

C18H14O2S — CID 11312432

IUPAC2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one
SMILESCC1Sc2c(c(=O)oc3ccccc23)C1c1ccccc1
InChIInChI=1S/C18H14O2S/c1-11-15(12-7-3-2-4-8-12)16-17(21-11)13-9-5-6-10-14(13)20-18(16)19/h2-11,15H,1H3
InChIKeyZLXIAVPLKOLCAT-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.42
Rot. Bonds1

About 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one

2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one (PubChem CID 11312432) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one
PubChem CID11312432
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one
SMILESCC1Sc2c(c(=O)oc3ccccc23)C1c1ccccc1
InChIInChI=1S/C18H14O2S/c1-11-15(12-7-3-2-4-8-12)16-17(21-11)13-9-5-6-10-14(13)20-18(16)19/h2-11,15H,1H3
InChIKeyZLXIAVPLKOLCAT-UHFFFAOYSA-N
XLogP4.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.42
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

Phenprocoumon
CID 54680692
3-Phenyl-2-benzofuranone
CID 226652
4-Methyl-3-phenylcoumarin
CID 477709
(R)-Phenprocoumon
CID 54681545
2-(Trifluoromethyl)-1,2-dihydrothieno[2,3-c]chromen-4-one
CID 2919036
S-[(4-Hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl] benzenecarbothioate
CID 54687741
7-Benzylsulfanyl-3,4-dimethylchromen-2-one
CID 11843153
(S)-Phenprocoumon
CID 54681533
3-(4-Methoxyphenyl)-4-methylchromen-2-one
CID 688968
4-methoxy-3-[(1S)-1-phenylpropyl]chromen-2-one
CID 10063036
13-Oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2,4,6,14,16,18-heptaen-12-one
CID 86765088
8-methyl-2-(trifluoromethyl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-one
CID 2919319

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one?
The IUPAC name of 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one (CID 11312432) is 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one.
What is the SMILES notation for 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one?
The canonical SMILES for 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one is CC1Sc2c(c(=O)oc3ccccc23)C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one?
The InChIKey is ZLXIAVPLKOLCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c1-11-15(12-7-3-2-4-8-12)16-17(21-11)13-9-5-6-10-14(13)20-18(16)19/h2-11,15H,1H3.
What are the key properties of 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one?
2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one has a molecular weight of 294.38 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-2,3-dihydrothieno[3,2-c]chromen-4-one is sourced from PubChem (CID 11312432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).