4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene

C23H20O2S — CID 12073871

IUPAC4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene
SMILESCSC1=C(c2ccccc2)COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C23H20O2S/c1-26-23-20-13-12-19(24-15-17-8-4-2-5-9-17)14-22(20)25-16-21(23)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyUMXNWVDZSHBFPN-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.89
Rot. Bonds5

About 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene

4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene (PubChem CID 12073871) has the molecular formula C23H20O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene.

Molecular Properties

Compound Name4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene
PubChem CID12073871
Molecular FormulaC23H20O2S
Molecular Weight360.48 g/mol
Exact Mass360.12
IUPAC Name4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene
SMILESCSC1=C(c2ccccc2)COc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C23H20O2S/c1-26-23-20-13-12-19(24-15-17-8-4-2-5-9-17)14-22(20)25-16-21(23)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyUMXNWVDZSHBFPN-UHFFFAOYSA-N
XLogP5.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenoxodiol
CID 219100
7-Hydroxy-5-methoxyflavan
CID 342294
7-(benzyloxy)-3,4-dimethyl-2H-chromen-2-one
CID 882800
trans-2,4-Dimethoxystilbene
CID 10752544
4'-Hydroxy-7-methoxyflavan
CID 185609
(2S)-3,4-Dihydro-2-(4-methoxyphenyl)-2H-1-benzopyran-7-ol
CID 442277
Triphendiol
CID 25022868
7-(4-Methoxy-benzyloxy)-4-methyl-chromen-2-one
CID 804039
4-Methyl-7-(2-phenylethoxy)chromen-2-one
CID 854709
Benzene, 1,3,5-trimethoxy-2-(phenylmethyl)-
CID 89845
2-(4-methoxyphenyl)-4H-chromene-4-thione
CID 1231330
2,4-dimethoxy-1-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 70688284

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene?
The IUPAC name of 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene (CID 12073871) is 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene.
What is the SMILES notation for 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene?
The canonical SMILES for 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene is CSC1=C(c2ccccc2)COc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene?
The InChIKey is UMXNWVDZSHBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2S/c1-26-23-20-13-12-19(24-15-17-8-4-2-5-9-17)14-22(20)25-16-21(23)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene?
4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene has a molecular weight of 360.48 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene is sourced from PubChem (CID 12073871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).