5-(2-oxochromen-4-yl)oxypentyl propanoate

C17H20O5 — CID 164525276

IUPAC5-(2-oxochromen-4-yl)oxypentyl propanoate
SMILESCCC(=O)OCCCCCOc1cc(=O)oc2ccccc12
InChIInChI=1S/C17H20O5/c1-2-16(18)21-11-7-3-6-10-20-15-12-17(19)22-14-9-5-4-8-13(14)15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyJPFNMFPGKAFNOL-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.30
Rot. Bonds8

About 5-(2-oxochromen-4-yl)oxypentyl propanoate

5-(2-oxochromen-4-yl)oxypentyl propanoate (PubChem CID 164525276) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-(2-oxochromen-4-yl)oxypentyl propanoate.

Molecular Properties

Compound Name5-(2-oxochromen-4-yl)oxypentyl propanoate
PubChem CID164525276
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name5-(2-oxochromen-4-yl)oxypentyl propanoate
SMILESCCC(=O)OCCCCCOc1cc(=O)oc2ccccc12
InChIInChI=1S/C17H20O5/c1-2-16(18)21-11-7-3-6-10-20-15-12-17(19)22-14-9-5-4-8-13(14)15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyJPFNMFPGKAFNOL-UHFFFAOYSA-N
XLogP3.30
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

13-(2-oxochromen-4-yl)oxytridecyl 2-methylbutanoate
CID 171454429
13-(2-oxochromen-4-yl)oxytridecyl 2-iodopentanoate
CID 167118216
7-(2-oxochromen-4-yl)sulfanylheptyl propanoate
CID 167114857
3-(2-oxochromen-4-yl)oxypropyl 2-methylbutanoate
CID 164525443
6-(2-oxochromen-4-yl)sulfinylhexyl propanoate
CID 164525137
N-hydroxy-6-(2-oxochromen-4-yl)oxyhexanamide
CID 169095175
4-ethoxychromen-2-one
CID 688703
4-[3-(dimethylamino)propoxy]chromen-2-one;4-hydroxychromen-2-one;hydrochloride
CID 158605000
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
2-[2-(2-oxochromen-4-yl)oxyethoxy]ethyl 2-methylpropanoate
CID 167114866
2-[2-(2-oxochromen-4-yl)oxyethylsulfanyl]ethyl 2-methylpropanoate
CID 164525341
3-O-methyl 5-O-[3-(2-oxochromen-4-yl)oxypropyl] 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 23438914

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxochromen-4-yl)oxypentyl propanoate?
The IUPAC name of 5-(2-oxochromen-4-yl)oxypentyl propanoate (CID 164525276) is 5-(2-oxochromen-4-yl)oxypentyl propanoate.
What is the SMILES notation for 5-(2-oxochromen-4-yl)oxypentyl propanoate?
The canonical SMILES for 5-(2-oxochromen-4-yl)oxypentyl propanoate is CCC(=O)OCCCCCOc1cc(=O)oc2ccccc12.
What is the InChIKey of 5-(2-oxochromen-4-yl)oxypentyl propanoate?
The InChIKey is JPFNMFPGKAFNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-2-16(18)21-11-7-3-6-10-20-15-12-17(19)22-14-9-5-4-8-13(14)15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3.
What are the key properties of 5-(2-oxochromen-4-yl)oxypentyl propanoate?
5-(2-oxochromen-4-yl)oxypentyl propanoate has a molecular weight of 304.34 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxochromen-4-yl)oxypentyl propanoate is sourced from PubChem (CID 164525276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).