4-(2-phenylmethoxyphenyl)butan-2-one

C17H18O2 — CID 82184665

IUPAC4-(2-phenylmethoxyphenyl)butan-2-one
SMILESCC(=O)CCc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18O2/c1-14(18)11-12-16-9-5-6-10-17(16)19-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKeyNRKKTWUHFZBMLH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.79
Rot. Bonds6

About 4-(2-phenylmethoxyphenyl)butan-2-one

4-(2-phenylmethoxyphenyl)butan-2-one (PubChem CID 82184665) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(2-phenylmethoxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-(2-phenylmethoxyphenyl)butan-2-one
PubChem CID82184665
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(2-phenylmethoxyphenyl)butan-2-one
SMILESCC(=O)CCc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18O2/c1-14(18)11-12-16-9-5-6-10-17(16)19-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKeyNRKKTWUHFZBMLH-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
3-oxo-6-(2-phenylmethoxyphenyl)hexanoic acid
CID 70435741
[2-(3-oxobutyl)phenyl] benzoate
CID 143135304
(2,3,4,5,6-pentafluorophenyl) 2-(2-phenylmethoxyphenyl)acetate
CID 87805473
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
1-(1,3-benzodioxol-5-yl)-3-(2-phenylmethoxyphenyl)propan-1-one
CID 122366493
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
phenol;4-phenylbutan-2-one
CID 160537429
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
5-[3-(2-phenylmethoxyphenyl)propyl]thiophene-2-carboxylic acid
CID 67764114

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyphenyl)butan-2-one?
The IUPAC name of 4-(2-phenylmethoxyphenyl)butan-2-one (CID 82184665) is 4-(2-phenylmethoxyphenyl)butan-2-one.
What is the SMILES notation for 4-(2-phenylmethoxyphenyl)butan-2-one?
The canonical SMILES for 4-(2-phenylmethoxyphenyl)butan-2-one is CC(=O)CCc1ccccc1OCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyphenyl)butan-2-one?
The InChIKey is NRKKTWUHFZBMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-14(18)11-12-16-9-5-6-10-17(16)19-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3.
What are the key properties of 4-(2-phenylmethoxyphenyl)butan-2-one?
4-(2-phenylmethoxyphenyl)butan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyphenyl)butan-2-one is sourced from PubChem (CID 82184665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).