8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one

C17H14O6S — CID 22425061

IUPAC8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one
SMILESCOc1cccc(S(=O)(=O)c2cc3cccc(OC)c3oc2=O)c1
InChIInChI=1S/C17H14O6S/c1-21-12-6-4-7-13(10-12)24(19,20)15-9-11-5-3-8-14(22-2)16(11)23-17(15)18/h3-10H,1-2H3
InChIKeySMXQRLRNWSGFKN-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.64
Rot. Bonds4

About 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one

8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one (PubChem CID 22425061) has the molecular formula C17H14O6S and a molecular weight of 346.36 g/mol. Its IUPAC name is 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one
PubChem CID22425061
Molecular FormulaC17H14O6S
Molecular Weight346.36 g/mol
Exact Mass346.05
IUPAC Name8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one
SMILESCOc1cccc(S(=O)(=O)c2cc3cccc(OC)c3oc2=O)c1
InChIInChI=1S/C17H14O6S/c1-21-12-6-4-7-13(10-12)24(19,20)15-9-11-5-3-8-14(22-2)16(11)23-17(15)18/h3-10H,1-2H3
InChIKeySMXQRLRNWSGFKN-UHFFFAOYSA-N
XLogP2.64
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-(3,4-dimethylphenyl)sulfonyl-6-methoxychromen-2-one
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7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
8-methoxy-3-phenylchromen-2-one
CID 2195449
3-(hydroxymethyl)-8-methoxychromen-2-one
CID 21128834
8-ethoxy-2-oxochromene-3-sulfonamide
CID 164628509
3-methoxybenzenesulfonamide
CID 14763060
3-(3-methylphenyl)sulfonylchromen-2-one
CID 12701708
N-(3,4-dimethoxyphenyl)-8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-imine
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one?
The IUPAC name of 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one (CID 22425061) is 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one.
What is the SMILES notation for 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one?
The canonical SMILES for 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one is COc1cccc(S(=O)(=O)c2cc3cccc(OC)c3oc2=O)c1.
What is the InChIKey of 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one?
The InChIKey is SMXQRLRNWSGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6S/c1-21-12-6-4-7-13(10-12)24(19,20)15-9-11-5-3-8-14(22-2)16(11)23-17(15)18/h3-10H,1-2H3.
What are the key properties of 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one?
8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one has a molecular weight of 346.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one is sourced from PubChem (CID 22425061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).