2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one

C18H20O2 — CID 43799872

IUPAC2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-4-17(18(19)15-8-6-5-7-9-15)20-16-11-10-13(2)14(3)12-16/h5-12,17H,4H2,1-3H3
InChIKeyRWZWUAXAJZHEIG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.34
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one

2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one (PubChem CID 43799872) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
PubChem CID43799872
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-4-17(18(19)15-8-6-5-7-9-15)20-16-11-10-13(2)14(3)12-16/h5-12,17H,4H2,1-3H3
InChIKeyRWZWUAXAJZHEIG-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
CID 43799769
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
4-(1-oxo-1-phenylbutan-2-yl)oxybenzonitrile
CID 62030456
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
methyl 3-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94026950
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one (CID 43799872) is 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one is CCC(Oc1ccc(C)c(C)c1)C(=O)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one?
The InChIKey is RWZWUAXAJZHEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-17(18(19)15-8-6-5-7-9-15)20-16-11-10-13(2)14(3)12-16/h5-12,17H,4H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one?
2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one is sourced from PubChem (CID 43799872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).