6-(4-methoxyphenyl)-3,4-dihydropyran-2-one

C12H12O3 — CID 11183315

IUPAC6-(4-methoxyphenyl)-3,4-dihydropyran-2-one
SMILESCOc1ccc(C2=CCCC(=O)O2)cc1
InChIInChI=1S/C12H12O3/c1-14-10-7-5-9(6-8-10)11-3-2-4-12(13)15-11/h3,5-8H,2,4H2,1H3
InChIKeyOWEUEBNAFLFWKW-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.37
Rot. Bonds2

About 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one

6-(4-methoxyphenyl)-3,4-dihydropyran-2-one (PubChem CID 11183315) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3,4-dihydropyran-2-one
PubChem CID11183315
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name6-(4-methoxyphenyl)-3,4-dihydropyran-2-one
SMILESCOc1ccc(C2=CCCC(=O)O2)cc1
InChIInChI=1S/C12H12O3/c1-14-10-7-5-9(6-8-10)11-3-2-4-12(13)15-11/h3,5-8H,2,4H2,1H3
InChIKeyOWEUEBNAFLFWKW-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
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(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
CID 15722634
6-methoxy-1,2-dihydrocyclopenta[b]chromene
CID 86188658
2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
CID 71347213
5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan
CID 141282351
1-(cyclobuten-1-ylmethyl)-4-methoxybenzene
CID 101057270
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
2,6-bis(4-methoxyphenyl)-4-(4-methylphenyl)-1,4-oxazine
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CID 102280820

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one (CID 11183315) is 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one is COc1ccc(C2=CCCC(=O)O2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one?
The InChIKey is OWEUEBNAFLFWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-10-7-5-9(6-8-10)11-3-2-4-12(13)15-11/h3,5-8H,2,4H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one?
6-(4-methoxyphenyl)-3,4-dihydropyran-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3,4-dihydropyran-2-one is sourced from PubChem (CID 11183315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).