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

C18H20O2 — CID 82092576

IUPAC1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H20O2/c1-12-5-6-13(2)17(9-12)11-20-18-8-7-16(15(4)19)10-14(18)3/h5-10H,11H2,1-4H3
InChIKeyBJQRGAASVBNOOE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.39
Rot. Bonds4

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

1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone (PubChem CID 82092576) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
PubChem CID82092576
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H20O2/c1-12-5-6-13(2)17(9-12)11-20-18-8-7-16(15(4)19)10-14(18)3/h5-10H,11H2,1-4H3
InChIKeyBJQRGAASVBNOOE-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
CID 83952506
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
4-[(4-acetyl-2-methylphenoxy)methyl]benzonitrile
CID 115610418
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
4-[(2,4-dimethylphenoxy)methyl]benzoate
CID 7017094
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone (CID 82092576) is 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone is CC(=O)c1ccc(OCc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
The InChIKey is BJQRGAASVBNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-5-6-13(2)17(9-12)11-20-18-8-7-16(15(4)19)10-14(18)3/h5-10H,11H2,1-4H3.
What are the key properties of 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone?
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone is sourced from PubChem (CID 82092576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).