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

C19H22O2 — CID 103434986

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
SMILESCOc1c(C(=O)CCCc2ccccc2)ccc(C)c1C
InChIInChI=1S/C19H22O2/c1-14-12-13-17(19(21-3)15(14)2)18(20)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3
InChIKeyCZKMGPPPHRIGJK-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.52
Rot. Bonds6

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

1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one (PubChem CID 103434986) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
PubChem CID103434986
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
SMILESCOc1c(C(=O)CCCc2ccccc2)ccc(C)c1C
InChIInChI=1S/C19H22O2/c1-14-12-13-17(19(21-3)15(14)2)18(20)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3
InChIKeyCZKMGPPPHRIGJK-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-(4-hydroxy-3-methoxy-2-nitrophenyl)-4-phenylbutan-1-one
CID 11623825
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-one
CID 114969894
3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
CID 103434291
2-(3-aminophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434852
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 86236273
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
CID 103434856
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one (CID 103434986) is 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one is COc1c(C(=O)CCCc2ccccc2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one?
The InChIKey is CZKMGPPPHRIGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-12-13-17(19(21-3)15(14)2)18(20)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one?
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 103434986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).