8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one

C19H21O4P — CID 143802468

IUPAC8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(=O)C3=CCCC3)c(OP)cc(C)c12
InChIInChI=1S/C19H21O4P/c1-3-6-13-10-15(20)22-19-16(13)11(2)9-14(23-24)17(19)18(21)12-7-4-5-8-12/h7,9-10H,3-6,8,24H2,1-2H3
InChIKeyAGBLIFSVIOSYEH-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.52
Rot. Bonds5

About 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one

8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one (PubChem CID 143802468) has the molecular formula C19H21O4P and a molecular weight of 344.35 g/mol. Its IUPAC name is 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one.

Molecular Properties

Compound Name8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one
PubChem CID143802468
Molecular FormulaC19H21O4P
Molecular Weight344.35 g/mol
Exact Mass344.12
IUPAC Name8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(=O)C3=CCCC3)c(OP)cc(C)c12
InChIInChI=1S/C19H21O4P/c1-3-6-13-10-15(20)22-19-16(13)11(2)9-14(23-24)17(19)18(21)12-7-4-5-8-12/h7,9-10H,3-6,8,24H2,1-2H3
InChIKeyAGBLIFSVIOSYEH-UHFFFAOYSA-N
XLogP4.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one?
The IUPAC name of 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one (CID 143802468) is 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one.
What is the SMILES notation for 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one?
The canonical SMILES for 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C(=O)C3=CCCC3)c(OP)cc(C)c12.
What is the InChIKey of 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one?
The InChIKey is AGBLIFSVIOSYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O4P/c1-3-6-13-10-15(20)22-19-16(13)11(2)9-14(23-24)17(19)18(21)12-7-4-5-8-12/h7,9-10H,3-6,8,24H2,1-2H3.
What are the key properties of 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one?
8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one has a molecular weight of 344.35 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentene-1-carbonyl)-5-methyl-7-phosphanyloxy-4-propylchromen-2-one is sourced from PubChem (CID 143802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).