bis(4-methoxy-2-prop-2-enoxyphenyl)methanone

C21H22O5 — CID 134843871

IUPACbis(4-methoxy-2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cc(OC)ccc1C(=O)c1ccc(OC)cc1OCC=C
InChIInChI=1S/C21H22O5/c1-5-11-25-19-13-15(23-3)7-9-17(19)21(22)18-10-8-16(24-4)14-20(18)26-12-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3
InChIKeyUBNIXFDWVODUJU-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.06
Rot. Bonds10

About bis(4-methoxy-2-prop-2-enoxyphenyl)methanone

bis(4-methoxy-2-prop-2-enoxyphenyl)methanone (PubChem CID 134843871) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is bis(4-methoxy-2-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Namebis(4-methoxy-2-prop-2-enoxyphenyl)methanone
PubChem CID134843871
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Namebis(4-methoxy-2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cc(OC)ccc1C(=O)c1ccc(OC)cc1OCC=C
InChIInChI=1S/C21H22O5/c1-5-11-25-19-13-15(23-3)7-9-17(19)21(22)18-10-8-16(24-4)14-20(18)26-12-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3
InChIKeyUBNIXFDWVODUJU-UHFFFAOYSA-N
XLogP4.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
CID 120515258
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
1-chloro-4-methoxy-2-prop-2-enoxybenzene
CID 20701294
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)but-2-en-1-one
CID 54092549
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
4-hydroxy-1-(4-methoxy-2-prop-2-enoxybenzoyl)piperidine-4-carboxylic acid
CID 120528292
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-prop-2-enoxyphenyl)methanone?
The IUPAC name of bis(4-methoxy-2-prop-2-enoxyphenyl)methanone (CID 134843871) is bis(4-methoxy-2-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for bis(4-methoxy-2-prop-2-enoxyphenyl)methanone?
The canonical SMILES for bis(4-methoxy-2-prop-2-enoxyphenyl)methanone is C=CCOc1cc(OC)ccc1C(=O)c1ccc(OC)cc1OCC=C.
What is the InChIKey of bis(4-methoxy-2-prop-2-enoxyphenyl)methanone?
The InChIKey is UBNIXFDWVODUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-5-11-25-19-13-15(23-3)7-9-17(19)21(22)18-10-8-16(24-4)14-20(18)26-12-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3.
What are the key properties of bis(4-methoxy-2-prop-2-enoxyphenyl)methanone?
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone has a molecular weight of 354.40 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 134843871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).