6-(2-oxochromen-7-yl)oxyhexanal

C15H16O4 — CID 11414285

IUPAC6-(2-oxochromen-7-yl)oxyhexanal
SMILESO=CCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H16O4/c16-9-3-1-2-4-10-18-13-7-5-12-6-8-15(17)19-14(12)11-13/h5-9,11H,1-4,10H2
InChIKeyFCPLQZFVFNWZSJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.93
Rot. Bonds7

About 6-(2-oxochromen-7-yl)oxyhexanal

6-(2-oxochromen-7-yl)oxyhexanal (PubChem CID 11414285) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(2-oxochromen-7-yl)oxyhexanal.

Molecular Properties

Compound Name6-(2-oxochromen-7-yl)oxyhexanal
PubChem CID11414285
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name6-(2-oxochromen-7-yl)oxyhexanal
SMILESO=CCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H16O4/c16-9-3-1-2-4-10-18-13-7-5-12-6-8-15(17)19-14(12)11-13/h5-9,11H,1-4,10H2
InChIKeyFCPLQZFVFNWZSJ-UHFFFAOYSA-N
XLogP2.93
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
7-(2-aminoethoxy)chromen-2-one
CID 82506816
bis[6-(2-oxochromen-7-yl)oxyhexyl] 5-hydroxybenzene-1,3-dicarboxylate
CID 86595691
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal
CID 101223869
7-(5-pyrazol-1-ylpentoxy)chromen-2-one
CID 178078577
dipotassium;7-(6-bromohexoxy)chromen-2-one;1,6-dibromohexane;hydride;7-hydroxychromen-2-one;methane;oxido formate
CID 158430974
ethyl 5-(2-oxochromen-7-yl)oxypentanoate
CID 10401949

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxochromen-7-yl)oxyhexanal?
The IUPAC name of 6-(2-oxochromen-7-yl)oxyhexanal (CID 11414285) is 6-(2-oxochromen-7-yl)oxyhexanal.
What is the SMILES notation for 6-(2-oxochromen-7-yl)oxyhexanal?
The canonical SMILES for 6-(2-oxochromen-7-yl)oxyhexanal is O=CCCCCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 6-(2-oxochromen-7-yl)oxyhexanal?
The InChIKey is FCPLQZFVFNWZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-9-3-1-2-4-10-18-13-7-5-12-6-8-15(17)19-14(12)11-13/h5-9,11H,1-4,10H2.
What are the key properties of 6-(2-oxochromen-7-yl)oxyhexanal?
6-(2-oxochromen-7-yl)oxyhexanal has a molecular weight of 260.29 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxochromen-7-yl)oxyhexanal is sourced from PubChem (CID 11414285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).