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

C18H20O2 — CID 63530895

IUPAC1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCc1ccc(C)c(C)c1
InChIInChI=1S/C18H20O2/c1-4-17(19)16-7-5-6-8-18(16)20-12-15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3
InChIKeyFSXMOXBDQCVDRH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.48
Rot. Bonds5

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

1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one (PubChem CID 63530895) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
PubChem CID63530895
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCc1ccc(C)c(C)c1
InChIInChI=1S/C18H20O2/c1-4-17(19)16-7-5-6-8-18(16)20-12-15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3
InChIKeyFSXMOXBDQCVDRH-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
CID 103758745
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
CID 63364047
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one (CID 63530895) is 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OCc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one?
The InChIKey is FSXMOXBDQCVDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-17(19)16-7-5-6-8-18(16)20-12-15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one?
1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 63530895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).