6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione

C15H16O4 — CID 15470473

IUPAC6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione
SMILESC=CCC1C(=O)CC(c2ccc(OC)cc2)OC1=O
InChIInChI=1S/C15H16O4/c1-3-4-12-13(16)9-14(19-15(12)17)10-5-7-11(18-2)8-6-10/h3,5-8,12,14H,1,4,9H2,2H3
InChIKeyDCZGIOGEBFWJBX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.44
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione

6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione (PubChem CID 15470473) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione
PubChem CID15470473
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione
SMILESC=CCC1C(=O)CC(c2ccc(OC)cc2)OC1=O
InChIInChI=1S/C15H16O4/c1-3-4-12-13(16)9-14(19-15(12)17)10-5-7-11(18-2)8-6-10/h3,5-8,12,14H,1,4,9H2,2H3
InChIKeyDCZGIOGEBFWJBX-UHFFFAOYSA-N
XLogP2.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,6R)-2-(4-methoxyphenyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 10728184
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 82367269
2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
CID 71347213
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
CID 102367587
carbon dioxide;(4S)-4-ethyl-2-(4-methoxyphenyl)-1,3-dioxolane;2-[(4S)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]acetaldehyde;(4S)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxolane
CID 161049218
5-(4-methoxyphenyl)-5,6-dihydrothieno[3,2-b]pyran-7-one
CID 13352399
3-(4-methoxyphenyl)-6-methyloxan-2-one
CID 70805918
3-(4-methoxyphenyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 135032687

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione?
The IUPAC name of 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione (CID 15470473) is 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione is C=CCC1C(=O)CC(c2ccc(OC)cc2)OC1=O.
What is the InChIKey of 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione?
The InChIKey is DCZGIOGEBFWJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-3-4-12-13(16)9-14(19-15(12)17)10-5-7-11(18-2)8-6-10/h3,5-8,12,14H,1,4,9H2,2H3.
What are the key properties of 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione?
6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-prop-2-enyloxane-2,4-dione is sourced from PubChem (CID 15470473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).