2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione

C18H18O5 — CID 139919860

IUPAC2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
SMILESCOc1cccc(C(=O)C(OC)C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H18O5/c1-21-14-8-4-6-12(10-14)16(19)18(23-3)17(20)13-7-5-9-15(11-13)22-2/h4-11,18H,1-3H3
InChIKeyPDVJZDWBUUECSF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.78
Rot. Bonds7

About 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione

2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione (PubChem CID 139919860) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione.

Molecular Properties

Compound Name2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
PubChem CID139919860
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
SMILESCOc1cccc(C(=O)C(OC)C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H18O5/c1-21-14-8-4-6-12(10-14)16(19)18(23-3)17(20)13-7-5-9-15(11-13)22-2/h4-11,18H,1-3H3
InChIKeyPDVJZDWBUUECSF-UHFFFAOYSA-N
XLogP2.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251
(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 122377708
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
2-bromo-1-(3-methoxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282260
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7703006

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione?
The IUPAC name of 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione (CID 139919860) is 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione.
What is the SMILES notation for 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione?
The canonical SMILES for 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione is COc1cccc(C(=O)C(OC)C(=O)c2cccc(OC)c2)c1.
What is the InChIKey of 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione?
The InChIKey is PDVJZDWBUUECSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-14-8-4-6-12(10-14)16(19)18(23-3)17(20)13-7-5-9-15(11-13)22-2/h4-11,18H,1-3H3.
What are the key properties of 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione?
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione has a molecular weight of 314.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione is sourced from PubChem (CID 139919860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).