4-phenyl-4-phenylmethoxybutan-2-one

C17H18O2 — CID 14950264

IUPAC4-phenyl-4-phenylmethoxybutan-2-one
SMILESCC(=O)CC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-14(18)12-17(16-10-6-3-7-11-16)19-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
InChIKeyGXQROFPYVQEJSY-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds6

About 4-phenyl-4-phenylmethoxybutan-2-one

4-phenyl-4-phenylmethoxybutan-2-one (PubChem CID 14950264) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-phenyl-4-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name4-phenyl-4-phenylmethoxybutan-2-one
PubChem CID14950264
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-phenyl-4-phenylmethoxybutan-2-one
SMILESCC(=O)CC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-14(18)12-17(16-10-6-3-7-11-16)19-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
InChIKeyGXQROFPYVQEJSY-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-phenylmethoxybutan-2-one?
The IUPAC name of 4-phenyl-4-phenylmethoxybutan-2-one (CID 14950264) is 4-phenyl-4-phenylmethoxybutan-2-one.
What is the SMILES notation for 4-phenyl-4-phenylmethoxybutan-2-one?
The canonical SMILES for 4-phenyl-4-phenylmethoxybutan-2-one is CC(=O)CC(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-phenyl-4-phenylmethoxybutan-2-one?
The InChIKey is GXQROFPYVQEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-14(18)12-17(16-10-6-3-7-11-16)19-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3.
What are the key properties of 4-phenyl-4-phenylmethoxybutan-2-one?
4-phenyl-4-phenylmethoxybutan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-phenylmethoxybutan-2-one is sourced from PubChem (CID 14950264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).