1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one

C17H18O2 — CID 62716544

IUPAC1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
SMILESCc1ccc(CC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C17H18O2/c1-13-8-9-15(10-14(13)2)11-16(18)12-19-17-6-4-3-5-7-17/h3-10H,11-12H2,1-2H3
InChIKeyQJJYCDWRWQYBIG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.49
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one

1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one (PubChem CID 62716544) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
PubChem CID62716544
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
SMILESCc1ccc(CC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C17H18O2/c1-13-8-9-15(10-14(13)2)11-16(18)12-19-17-6-4-3-5-7-17/h3-10H,11-12H2,1-2H3
InChIKeyQJJYCDWRWQYBIG-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
1-anilino-3-(3,4-dimethylphenyl)propan-2-one
CID 116555415
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
CID 107709236
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one (CID 62716544) is 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one is Cc1ccc(CC(=O)COc2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one?
The InChIKey is QJJYCDWRWQYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-8-9-15(10-14(13)2)11-16(18)12-19-17-6-4-3-5-7-17/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one?
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one is sourced from PubChem (CID 62716544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).