2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one

C17H14O5S — CID 22906521

IUPAC2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(Sc3ccccc3O)oc2c1
InChIInChI=1S/C17H14O5S/c1-20-10-7-13(21-2)17-12(19)9-16(22-14(17)8-10)23-15-6-4-3-5-11(15)18/h3-9,18H,1-2H3
InChIKeyRTXQTQWOULPQJH-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one

2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one (PubChem CID 22906521) has the molecular formula C17H14O5S and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
PubChem CID22906521
Molecular FormulaC17H14O5S
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(Sc3ccccc3O)oc2c1
InChIInChI=1S/C17H14O5S/c1-20-10-7-13(21-2)17-12(19)9-16(22-14(17)8-10)23-15-6-4-3-5-11(15)18/h3-9,18H,1-2H3
InChIKeyRTXQTQWOULPQJH-UHFFFAOYSA-N
XLogP3.67
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethoxy-2-(2-methoxyphenyl)sulfanylchromen-4-one
CID 22906454
5,7-dimethoxy-2-(2-methylphenyl)sulfanylchromen-4-one
CID 22906461
2-(4-chlorophenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906479
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-cyclopenta-2,4-dien-1-yl-5,7-dimethoxychromen-4-one;cyclopentane;iron
CID 87386931
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
2-benzyl-5-hydroxy-7-methoxychromen-4-one
CID 11822088
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one
CID 22405888

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one (CID 22906521) is 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(Sc3ccccc3O)oc2c1.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one?
The InChIKey is RTXQTQWOULPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5S/c1-20-10-7-13(21-2)17-12(19)9-16(22-14(17)8-10)23-15-6-4-3-5-11(15)18/h3-9,18H,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one?
2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one has a molecular weight of 330.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 22906521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).