2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol

C17H16O3S — CID 25134317

IUPAC2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESCCSC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1
InChIInChI=1S/C17H16O3S/c1-2-21-17-15(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-16(12)20-17/h3-10,17-19H,2H2,1H3
InChIKeyXXNXGFNAEVNSQA-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.11
Rot. Bonds3

About 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol

2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol (PubChem CID 25134317) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol
PubChem CID25134317
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESCCSC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1
InChIInChI=1S/C17H16O3S/c1-2-21-17-15(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-16(12)20-17/h3-10,17-19H,2H2,1H3
InChIKeyXXNXGFNAEVNSQA-UHFFFAOYSA-N
XLogP4.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The IUPAC name of 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol (CID 25134317) is 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The canonical SMILES for 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol is CCSC1Oc2cc(O)ccc2C=C1c1ccc(O)cc1.
What is the InChIKey of 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The InChIKey is XXNXGFNAEVNSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-2-21-17-15(11-3-6-13(18)7-4-11)9-12-5-8-14(19)10-16(12)20-17/h3-10,17-19H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol has a molecular weight of 300.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-(4-hydroxyphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 25134317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).