6-butyl-5-(4-methoxyphenyl)pyran-2-one

C16H18O3 — CID 11242353

IUPAC6-butyl-5-(4-methoxyphenyl)pyran-2-one
SMILESCCCCc1oc(=O)ccc1-c1ccc(OC)cc1
InChIInChI=1S/C16H18O3/c1-3-4-5-15-14(10-11-16(17)19-15)12-6-8-13(18-2)9-7-12/h6-11H,3-5H2,1-2H3
InChIKeyCKFJUDWTRISYRS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.66
Rot. Bonds5

About 6-butyl-5-(4-methoxyphenyl)pyran-2-one

6-butyl-5-(4-methoxyphenyl)pyran-2-one (PubChem CID 11242353) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-butyl-5-(4-methoxyphenyl)pyran-2-one.

Molecular Properties

Compound Name6-butyl-5-(4-methoxyphenyl)pyran-2-one
PubChem CID11242353
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name6-butyl-5-(4-methoxyphenyl)pyran-2-one
SMILESCCCCc1oc(=O)ccc1-c1ccc(OC)cc1
InChIInChI=1S/C16H18O3/c1-3-4-5-15-14(10-11-16(17)19-15)12-6-8-13(18-2)9-7-12/h6-11H,3-5H2,1-2H3
InChIKeyCKFJUDWTRISYRS-UHFFFAOYSA-N
XLogP3.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butoxyphenyl)-6-oxopyran-2-carboxylic acid
CID 82073112
7-butyl-3-(4-methoxyphenyl)-8H-cyclohepta[b]pyran-2-one
CID 145125364
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one
CID 10727725
6-butyl-5-(3-oxobutyl)pyran-2-one
CID 164686511
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CID 126599983
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672
6-hexyl-3-(4-methoxyphenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 3737351
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]butane-1-sulfonamide
CID 110402437
5,6-dipropylpyran-2-one
CID 15445692
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
3-(4-methoxyphenyl)-6-phenylpyran-2-one
CID 15308954

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(4-methoxyphenyl)pyran-2-one?
The IUPAC name of 6-butyl-5-(4-methoxyphenyl)pyran-2-one (CID 11242353) is 6-butyl-5-(4-methoxyphenyl)pyran-2-one.
What is the SMILES notation for 6-butyl-5-(4-methoxyphenyl)pyran-2-one?
The canonical SMILES for 6-butyl-5-(4-methoxyphenyl)pyran-2-one is CCCCc1oc(=O)ccc1-c1ccc(OC)cc1.
What is the InChIKey of 6-butyl-5-(4-methoxyphenyl)pyran-2-one?
The InChIKey is CKFJUDWTRISYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-4-5-15-14(10-11-16(17)19-15)12-6-8-13(18-2)9-7-12/h6-11H,3-5H2,1-2H3.
What are the key properties of 6-butyl-5-(4-methoxyphenyl)pyran-2-one?
6-butyl-5-(4-methoxyphenyl)pyran-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(4-methoxyphenyl)pyran-2-one is sourced from PubChem (CID 11242353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).