2-(4-methoxyphenyl)thiochromen-4-one

C16H12O2S — CID 2324877

IUPAC2-(4-methoxyphenyl)thiochromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3s2)cc1
InChIInChI=1S/C16H12O2S/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeyZLYYLYIZXHSKBL-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.94
Rot. Bonds2

About 2-(4-methoxyphenyl)thiochromen-4-one

2-(4-methoxyphenyl)thiochromen-4-one (PubChem CID 2324877) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)thiochromen-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)thiochromen-4-one
PubChem CID2324877
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name2-(4-methoxyphenyl)thiochromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3s2)cc1
InChIInChI=1S/C16H12O2S/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKeyZLYYLYIZXHSKBL-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)thiochromen-4-one?
The IUPAC name of 2-(4-methoxyphenyl)thiochromen-4-one (CID 2324877) is 2-(4-methoxyphenyl)thiochromen-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)thiochromen-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)thiochromen-4-one is COc1ccc(-c2cc(=O)c3ccccc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)thiochromen-4-one?
The InChIKey is ZLYYLYIZXHSKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)thiochromen-4-one?
2-(4-methoxyphenyl)thiochromen-4-one has a molecular weight of 268.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)thiochromen-4-one is sourced from PubChem (CID 2324877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).