9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene

C21H18O2S — CID 162643635

IUPAC9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccc(SC)cc1
InChIInChI=1S/C21H18O2S/c1-22-15-9-12-18-19(13-15)17-5-3-4-6-20(17)23-21(18)14-7-10-16(24-2)11-8-14/h3-13,21H,1-2H3
InChIKeyBTFAPEVJZZFEEO-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.57
Rot. Bonds3

About 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene

9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene (PubChem CID 162643635) has the molecular formula C21H18O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene.

Molecular Properties

Compound Name9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene
PubChem CID162643635
Molecular FormulaC21H18O2S
Molecular Weight334.44 g/mol
Exact Mass334.10
IUPAC Name9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccc(SC)cc1
InChIInChI=1S/C21H18O2S/c1-22-15-9-12-18-19(13-15)17-5-3-4-6-20(17)23-21(18)14-7-10-16(24-2)11-8-14/h3-13,21H,1-2H3
InChIKeyBTFAPEVJZZFEEO-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene?
The IUPAC name of 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene (CID 162643635) is 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene.
What is the SMILES notation for 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene?
The canonical SMILES for 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene is COc1ccc2c(c1)-c1ccccc1OC2c1ccc(SC)cc1.
What is the InChIKey of 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene?
The InChIKey is BTFAPEVJZZFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2S/c1-22-15-9-12-18-19(13-15)17-5-3-4-6-20(17)23-21(18)14-7-10-16(24-2)11-8-14/h3-13,21H,1-2H3.
What are the key properties of 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene?
9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene has a molecular weight of 334.44 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-(4-methylsulfanylphenyl)-6H-benzo[c]chromene is sourced from PubChem (CID 162643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).