5,7-dimethoxy-2-phenylchromene-4-thione

C17H14O3S — CID 56984400

IUPAC5,7-dimethoxy-2-phenylchromene-4-thione
SMILESCOc1cc(OC)c2c(=S)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C17H14O3S/c1-18-12-8-14(19-2)17-15(9-12)20-13(10-16(17)21)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyXZNZUXOKSXJGFS-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.85
Rot. Bonds3

About 5,7-dimethoxy-2-phenylchromene-4-thione

5,7-dimethoxy-2-phenylchromene-4-thione (PubChem CID 56984400) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is 5,7-dimethoxy-2-phenylchromene-4-thione.

Molecular Properties

Compound Name5,7-dimethoxy-2-phenylchromene-4-thione
PubChem CID56984400
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name5,7-dimethoxy-2-phenylchromene-4-thione
SMILESCOc1cc(OC)c2c(=S)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C17H14O3S/c1-18-12-8-14(19-2)17-15(9-12)20-13(10-16(17)21)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyXZNZUXOKSXJGFS-UHFFFAOYSA-N
XLogP4.85
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5,7-dimethoxychromene-4-thione
CID 154714196
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
CID 71423688
(3-amino-4,6-dimethoxy-1-benzofuran-2-yl)-phenylmethanone
CID 3715030
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-phenylchromene-4-thione?
The IUPAC name of 5,7-dimethoxy-2-phenylchromene-4-thione (CID 56984400) is 5,7-dimethoxy-2-phenylchromene-4-thione.
What is the SMILES notation for 5,7-dimethoxy-2-phenylchromene-4-thione?
The canonical SMILES for 5,7-dimethoxy-2-phenylchromene-4-thione is COc1cc(OC)c2c(=S)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-phenylchromene-4-thione?
The InChIKey is XZNZUXOKSXJGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S/c1-18-12-8-14(19-2)17-15(9-12)20-13(10-16(17)21)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-phenylchromene-4-thione?
5,7-dimethoxy-2-phenylchromene-4-thione has a molecular weight of 298.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-phenylchromene-4-thione is sourced from PubChem (CID 56984400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).