1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone

C19H22O3 — CID 83952506

IUPAC1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
SMILESCCOc1cc(C(C)=O)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C19H22O3/c1-5-21-19-11-16(15(4)20)8-9-18(19)22-12-17-10-13(2)6-7-14(17)3/h6-11H,5,12H2,1-4H3
InChIKeyGKXUJEYFFNSOQM-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.48
Rot. Bonds6

About 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone

1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone (PubChem CID 83952506) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
PubChem CID83952506
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
SMILESCCOc1cc(C(C)=O)ccc1OCc1cc(C)ccc1C
InChIInChI=1S/C19H22O3/c1-5-21-19-11-16(15(4)20)8-9-18(19)22-12-17-10-13(2)6-7-14(17)3/h6-11H,5,12H2,1-4H3
InChIKeyGKXUJEYFFNSOQM-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
bis(3,4-diethoxyphenyl)methanone
CID 135325793
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515412
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
ethyl 3,4-diethoxybenzoate
CID 586407
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170959

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone?
The IUPAC name of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone (CID 83952506) is 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone is CCOc1cc(C(C)=O)ccc1OCc1cc(C)ccc1C.
What is the InChIKey of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone?
The InChIKey is GKXUJEYFFNSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-21-19-11-16(15(4)20)8-9-18(19)22-12-17-10-13(2)6-7-14(17)3/h6-11H,5,12H2,1-4H3.
What are the key properties of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone?
1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone has a molecular weight of 298.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone is sourced from PubChem (CID 83952506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).