1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one

C17H18O2 — CID 114065883

IUPAC1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2cccc(C)c2C)cc1
InChIInChI=1S/C17H18O2/c1-4-16(18)14-8-10-15(11-9-14)19-17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3
InChIKeyGXUQCGYKGPHWRW-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.69
Rot. Bonds4

About 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one

1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one (PubChem CID 114065883) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
PubChem CID114065883
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2cccc(C)c2C)cc1
InChIInChI=1S/C17H18O2/c1-4-16(18)14-8-10-15(11-9-14)19-17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3
InChIKeyGXUQCGYKGPHWRW-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20985536
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197
4-(2-methylphenoxy)benzoate
CID 7010211
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
2-[4-[4-(2-cyano-3-methylphenoxy)benzoyl]phenoxy]-6-methylbenzonitrile
CID 155642413
methane;1-phenylpropan-1-one
CID 67638055

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one (CID 114065883) is 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one is CCC(=O)c1ccc(Oc2cccc(C)c2C)cc1.
What is the InChIKey of 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one?
The InChIKey is GXUQCGYKGPHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-16(18)14-8-10-15(11-9-14)19-17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one?
1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one has a molecular weight of 254.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one is sourced from PubChem (CID 114065883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).