2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one

C19H14O4S — CID 142757058

IUPAC2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(C2Oc3ccccc3C(=O)C2C(=O)c2cccs2)o1
InChIInChI=1S/C19H14O4S/c1-11-8-9-14(22-11)19-16(18(21)15-7-4-10-24-15)17(20)12-5-2-3-6-13(12)23-19/h2-10,16,19H,1H3
InChIKeyISXBDUGBMFHLLT-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.47
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one

2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one (PubChem CID 142757058) has the molecular formula C19H14O4S and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one
PubChem CID142757058
Molecular FormulaC19H14O4S
Molecular Weight338.38 g/mol
Exact Mass338.06
IUPAC Name2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(C2Oc3ccccc3C(=O)C2C(=O)c2cccs2)o1
InChIInChI=1S/C19H14O4S/c1-11-8-9-14(22-11)19-16(18(21)15-7-4-10-24-15)17(20)12-5-2-3-6-13(12)23-19/h2-10,16,19H,1H3
InChIKeyISXBDUGBMFHLLT-UHFFFAOYSA-N
XLogP4.47
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one (CID 142757058) is 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one is Cc1ccc(C2Oc3ccccc3C(=O)C2C(=O)c2cccs2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one?
The InChIKey is ISXBDUGBMFHLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4S/c1-11-8-9-14(22-11)19-16(18(21)15-7-4-10-24-15)17(20)12-5-2-3-6-13(12)23-19/h2-10,16,19H,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one?
2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one has a molecular weight of 338.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 142757058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).