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

C17H16O4 — CID 15664665

IUPAC1,3-bis(2-methoxyphenyl)propane-1,3-dione
SMILESCOc1ccccc1C(=O)CC(=O)c1ccccc1OC
InChIInChI=1S/C17H16O4/c1-20-16-9-5-3-7-12(16)14(18)11-15(19)13-8-4-6-10-17(13)21-2/h3-10H,11H2,1-2H3
InChIKeyRICSYNKWOQQKFX-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.16
Rot. Bonds6

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

1,3-bis(2-methoxyphenyl)propane-1,3-dione (PubChem CID 15664665) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1,3-bis(2-methoxyphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1,3-bis(2-methoxyphenyl)propane-1,3-dione
PubChem CID15664665
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name1,3-bis(2-methoxyphenyl)propane-1,3-dione
SMILESCOc1ccccc1C(=O)CC(=O)c1ccccc1OC
InChIInChI=1S/C17H16O4/c1-20-16-9-5-3-7-12(16)14(18)11-15(19)13-8-4-6-10-17(13)21-2/h3-10H,11H2,1-2H3
InChIKeyRICSYNKWOQQKFX-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
1-(2-methoxyphenyl)-3-phenylbut-3-en-1-one
CID 67489510
6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid
CID 20842227
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
CID 94262493
2-methoxybenzohydrazide
CID 24051
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
ethane;methyl 2-methoxybenzoate
CID 178037044
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 82102169
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyphenyl)propane-1,3-dione?
The IUPAC name of 1,3-bis(2-methoxyphenyl)propane-1,3-dione (CID 15664665) is 1,3-bis(2-methoxyphenyl)propane-1,3-dione.
What is the SMILES notation for 1,3-bis(2-methoxyphenyl)propane-1,3-dione?
The canonical SMILES for 1,3-bis(2-methoxyphenyl)propane-1,3-dione is COc1ccccc1C(=O)CC(=O)c1ccccc1OC.
What is the InChIKey of 1,3-bis(2-methoxyphenyl)propane-1,3-dione?
The InChIKey is RICSYNKWOQQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-16-9-5-3-7-12(16)14(18)11-15(19)13-8-4-6-10-17(13)21-2/h3-10H,11H2,1-2H3.
What are the key properties of 1,3-bis(2-methoxyphenyl)propane-1,3-dione?
1,3-bis(2-methoxyphenyl)propane-1,3-dione has a molecular weight of 284.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyphenyl)propane-1,3-dione is sourced from PubChem (CID 15664665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).