(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate

C19H16O4S — CID 2730624

IUPAC(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate
SMILESCCCc1cc(=O)oc2cc(OC(=O)C=Cc3cccs3)ccc12
InChIInChI=1S/C19H16O4S/c1-2-4-13-11-19(21)23-17-12-14(6-8-16(13)17)22-18(20)9-7-15-5-3-10-24-15/h3,5-12H,2,4H2,1H3
InChIKeyHZQQZBLAZHYQDH-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.43
Rot. Bonds5

About (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate

(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate (PubChem CID 2730624) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate
PubChem CID2730624
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate
SMILESCCCc1cc(=O)oc2cc(OC(=O)C=Cc3cccs3)ccc12
InChIInChI=1S/C19H16O4S/c1-2-4-13-11-19(21)23-17-12-14(6-8-16(13)17)22-18(20)9-7-15-5-3-10-24-15/h3,5-12H,2,4H2,1H3
InChIKeyHZQQZBLAZHYQDH-UHFFFAOYSA-N
XLogP4.43
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-4-propylchromen-7-yl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7923726
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
CID 7923721
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207707
(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
CID 7750795

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate (CID 2730624) is (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate is CCCc1cc(=O)oc2cc(OC(=O)C=Cc3cccs3)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate?
The InChIKey is HZQQZBLAZHYQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c1-2-4-13-11-19(21)23-17-12-14(6-8-16(13)17)22-18(20)9-7-15-5-3-10-24-15/h3,5-12H,2,4H2,1H3.
What are the key properties of (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate?
(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate has a molecular weight of 340.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2730624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).