1-(4-methoxyphenyl)-4-phenylbutan-1-one

C17H18O2 — CID 44589436

IUPAC1-(4-methoxyphenyl)-4-phenylbutan-1-one
SMILESCOc1ccc(C(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-19-16-12-10-15(11-13-16)17(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyXBNJLAPERJEQAO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.90
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-phenylbutan-1-one

1-(4-methoxyphenyl)-4-phenylbutan-1-one (PubChem CID 44589436) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-phenylbutan-1-one
PubChem CID44589436
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(4-methoxyphenyl)-4-phenylbutan-1-one
SMILESCOc1ccc(C(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-19-16-12-10-15(11-13-16)17(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyXBNJLAPERJEQAO-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-phenylbutan-1-one (CID 44589436) is 1-(4-methoxyphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-phenylbutan-1-one is COc1ccc(C(=O)CCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-phenylbutan-1-one?
The InChIKey is XBNJLAPERJEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-16-12-10-15(11-13-16)17(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-phenylbutan-1-one?
1-(4-methoxyphenyl)-4-phenylbutan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 44589436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).