1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one

C19H22O2 — CID 115495303

IUPAC1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22O2/c1-13-9-14(2)19(15(3)10-13)12-21-18-7-5-17(6-8-18)11-16(4)20/h5-10H,11-12H2,1-4H3
InChIKeyKGRAYTBNJYCHDR-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.32
Rot. Bonds5

About 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one

1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one (PubChem CID 115495303) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one
PubChem CID115495303
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H22O2/c1-13-9-14(2)19(15(3)10-13)12-21-18-7-5-17(6-8-18)11-16(4)20/h5-10H,11-12H2,1-4H3
InChIKeyKGRAYTBNJYCHDR-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
ethyl 2-[4-(2-oxopropyl)phenoxy]acetate;1-(4-hydroxyphenyl)propan-2-one
CID 159239031
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495260
1-[4-(ethoxymethoxy)phenyl]propan-2-one
CID 115495404
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495234
1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one
CID 67807778

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one (CID 115495303) is 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one?
The InChIKey is KGRAYTBNJYCHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-9-14(2)19(15(3)10-13)12-21-18-7-5-17(6-8-18)11-16(4)20/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one?
1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 115495303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).