3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one

C18H20O2 — CID 103434291

IUPAC3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
SMILESCOc1c(CCC(=O)c2ccccc2)ccc(C)c1C
InChIInChI=1S/C18H20O2/c1-13-9-10-16(18(20-3)14(13)2)11-12-17(19)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeySZFKMYNNHGIHRO-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.13
Rot. Bonds5

About 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one

3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one (PubChem CID 103434291) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
PubChem CID103434291
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
SMILESCOc1c(CCC(=O)c2ccccc2)ccc(C)c1C
InChIInChI=1S/C18H20O2/c1-13-9-10-16(18(20-3)14(13)2)11-12-17(19)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeySZFKMYNNHGIHRO-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
1-phenylbutan-1-one
CID 10315
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
3-methoxy-1-phenylpropan-1-one
CID 10942788
methyl 2-(3-oxo-3-phenylpropyl)benzoate
CID 122221957
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
1-phenylbutan-1-one;hydrobromide
CID 139638507
methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate
CID 103434268
methyl 3-hydroxy-4-(3-oxo-3-phenylpropyl)benzoate
CID 134845595

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one (CID 103434291) is 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one is COc1c(CCC(=O)c2ccccc2)ccc(C)c1C.
What is the InChIKey of 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one?
The InChIKey is SZFKMYNNHGIHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-9-10-16(18(20-3)14(13)2)11-12-17(19)15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3.
What are the key properties of 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one?
3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 103434291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).