ethyl 5-(2-oxochromen-7-yl)oxypentanoate

C16H18O5 — CID 10401949

IUPACethyl 5-(2-oxochromen-7-yl)oxypentanoate
SMILESCCOC(=O)CCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C16H18O5/c1-2-19-15(17)5-3-4-10-20-13-8-6-12-7-9-16(18)21-14(12)11-13/h6-9,11H,2-5,10H2,1H3
InChIKeyBBKWZBLDMREOLI-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.91
Rot. Bonds7

About ethyl 5-(2-oxochromen-7-yl)oxypentanoate

ethyl 5-(2-oxochromen-7-yl)oxypentanoate (PubChem CID 10401949) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5-(2-oxochromen-7-yl)oxypentanoate.

Molecular Properties

Compound Nameethyl 5-(2-oxochromen-7-yl)oxypentanoate
PubChem CID10401949
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl 5-(2-oxochromen-7-yl)oxypentanoate
SMILESCCOC(=O)CCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C16H18O5/c1-2-19-15(17)5-3-4-10-20-13-8-6-12-7-9-16(18)21-14(12)11-13/h6-9,11H,2-5,10H2,1H3
InChIKeyBBKWZBLDMREOLI-UHFFFAOYSA-N
XLogP2.91
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.91
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

ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
(2-oxochromen-7-yl) heptanoate
CID 87647336
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-(2-aminoethoxy)chromen-2-one
CID 82506816
(2-oxochromen-7-yl) butanoate
CID 781717
bis[6-(2-oxochromen-7-yl)oxyhexyl] 5-hydroxybenzene-1,3-dicarboxylate
CID 86595691
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
ethyl 6-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 11743593
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-oxochromen-7-yl)oxypentanoate?
The IUPAC name of ethyl 5-(2-oxochromen-7-yl)oxypentanoate (CID 10401949) is ethyl 5-(2-oxochromen-7-yl)oxypentanoate.
What is the SMILES notation for ethyl 5-(2-oxochromen-7-yl)oxypentanoate?
The canonical SMILES for ethyl 5-(2-oxochromen-7-yl)oxypentanoate is CCOC(=O)CCCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of ethyl 5-(2-oxochromen-7-yl)oxypentanoate?
The InChIKey is BBKWZBLDMREOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-2-19-15(17)5-3-4-10-20-13-8-6-12-7-9-16(18)21-14(12)11-13/h6-9,11H,2-5,10H2,1H3.
What are the key properties of ethyl 5-(2-oxochromen-7-yl)oxypentanoate?
ethyl 5-(2-oxochromen-7-yl)oxypentanoate has a molecular weight of 290.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-oxochromen-7-yl)oxypentanoate is sourced from PubChem (CID 10401949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).