1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone

C24H24O5 — CID 11280801

IUPAC1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)c(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H24O5/c1-17(25)23-13-12-22(28-15-18-4-8-20(26-2)9-5-18)14-24(23)29-16-19-6-10-21(27-3)11-7-19/h4-14H,15-16H2,1-3H3
InChIKeyRXYTYBUDTQYJGP-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.06
Rot. Bonds9

About 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone

1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 11280801) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID11280801
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)c(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H24O5/c1-17(25)23-13-12-22(28-15-18-4-8-20(26-2)9-5-18)14-24(23)29-16-19-6-10-21(27-3)11-7-19/h4-14H,15-16H2,1-3H3
InChIKeyRXYTYBUDTQYJGP-UHFFFAOYSA-N
XLogP5.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
CID 163871431
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
CID 66554673
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 126484430
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 11280801) is 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2ccc(C(C)=O)c(OCc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is RXYTYBUDTQYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-17(25)23-13-12-22(28-15-18-4-8-20(26-2)9-5-18)14-24(23)29-16-19-6-10-21(27-3)11-7-19/h4-14H,15-16H2,1-3H3.
What are the key properties of 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone?
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 392.45 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 11280801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).