7-methoxy-2-(4-methylphenyl)thiochromen-4-one

C17H14O2S — CID 154713863

IUPAC7-methoxy-2-(4-methylphenyl)thiochromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccc(C)cc3)sc2c1
InChIInChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-10H,1-2H3
InChIKeyGBGBOZOVSLQZPE-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.25
Rot. Bonds2

About 7-methoxy-2-(4-methylphenyl)thiochromen-4-one

7-methoxy-2-(4-methylphenyl)thiochromen-4-one (PubChem CID 154713863) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 7-methoxy-2-(4-methylphenyl)thiochromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-(4-methylphenyl)thiochromen-4-one
PubChem CID154713863
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name7-methoxy-2-(4-methylphenyl)thiochromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccc(C)cc3)sc2c1
InChIInChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-10H,1-2H3
InChIKeyGBGBOZOVSLQZPE-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(4-methylphenyl)thiochromen-4-one
CID 135040043
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
CID 10741585
4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
CID 46947162
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
6-methoxy-2-[4-(trifluoromethoxy)phenyl]-1-benzothiophene
CID 90343137
2-methoxy-6-[6-(6-methoxynaphthalen-2-yl)anthracen-2-yl]-3-(4-methylphenyl)-1-benzothiophene
CID 59012324
2-[4-[[6-methoxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]acetaldehyde
CID 135278449
2-(2-chloro-6-methoxy-1-benzothiophen-3-yl)-6-(2-chloro-6-methyl-1-benzothiophen-3-yl)aniline
CID 167581161
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918
2-(4-methoxyphenyl)thieno[3,2-e][1]benzothiole-7-carbaldehyde
CID 102590208
5-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 135070727
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methylphenyl)thiochromen-4-one?
The IUPAC name of 7-methoxy-2-(4-methylphenyl)thiochromen-4-one (CID 154713863) is 7-methoxy-2-(4-methylphenyl)thiochromen-4-one.
What is the SMILES notation for 7-methoxy-2-(4-methylphenyl)thiochromen-4-one?
The canonical SMILES for 7-methoxy-2-(4-methylphenyl)thiochromen-4-one is COc1ccc2c(=O)cc(-c3ccc(C)cc3)sc2c1.
What is the InChIKey of 7-methoxy-2-(4-methylphenyl)thiochromen-4-one?
The InChIKey is GBGBOZOVSLQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h3-10H,1-2H3.
What are the key properties of 7-methoxy-2-(4-methylphenyl)thiochromen-4-one?
7-methoxy-2-(4-methylphenyl)thiochromen-4-one has a molecular weight of 282.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methylphenyl)thiochromen-4-one is sourced from PubChem (CID 154713863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).