1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one

C19H22O2 — CID 82051586

IUPAC1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C19H22O2/c1-4-5-18(20)17-10-11-19(15(3)12-17)21-13-16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3
InChIKeyRPZMYYMJPYVYFA-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.87
Rot. Bonds6

About 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one

1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one (PubChem CID 82051586) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one
PubChem CID82051586
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C19H22O2/c1-4-5-18(20)17-10-11-19(15(3)12-17)21-13-16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3
InChIKeyRPZMYYMJPYVYFA-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dimethylphenoxy)methyl]benzoate
CID 7017094
4-chloro-1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]butan-1-one
CID 82051643
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-isocyano-1-(3-methyl-4-phenylmethoxyphenyl)ethanone
CID 88950115
2-bromo-1-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]ethanone
CID 58510127
2-chloro-1-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 82051662
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one?
The IUPAC name of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one (CID 82051586) is 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one.
What is the SMILES notation for 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one?
The canonical SMILES for 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one is CCCC(=O)c1ccc(OCc2ccc(C)cc2)c(C)c1.
What is the InChIKey of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one?
The InChIKey is RPZMYYMJPYVYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-5-18(20)17-10-11-19(15(3)12-17)21-13-16-8-6-14(2)7-9-16/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one?
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]butan-1-one is sourced from PubChem (CID 82051586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).