3-benzyl-3-methoxy-4-phenylbutan-2-one

C18H20O2 — CID 150312877

IUPAC3-benzyl-3-methoxy-4-phenylbutan-2-one
SMILESCOC(Cc1ccccc1)(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H20O2/c1-15(19)18(20-2,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeyGLZOMALSMBXHLS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.45
Rot. Bonds6

About 3-benzyl-3-methoxy-4-phenylbutan-2-one

3-benzyl-3-methoxy-4-phenylbutan-2-one (PubChem CID 150312877) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-benzyl-3-methoxy-4-phenylbutan-2-one.

Molecular Properties

Compound Name3-benzyl-3-methoxy-4-phenylbutan-2-one
PubChem CID150312877
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-benzyl-3-methoxy-4-phenylbutan-2-one
SMILESCOC(Cc1ccccc1)(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H20O2/c1-15(19)18(20-2,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeyGLZOMALSMBXHLS-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-3-methoxyheptan-4-one
CID 83226742
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
2-benzyl-2-fluoro-3-oxobutanoic acid
CID 146169302
benzoic acid;1,1-dimethoxy-2-phenylethanamine
CID 70260475
(2-methoxy-2-methylpropyl)benzene
CID 3842751
tert-butyl 2-benzyl-2-methyl-3-oxobutanoate
CID 102300490
2-cyano-2-methoxy-3-phenylpropanoic acid
CID 149477841
3-acetyl-3-benzylheptane-2,4,6-trione
CID 174872595
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methoxy-4-phenylbutan-2-one?
The IUPAC name of 3-benzyl-3-methoxy-4-phenylbutan-2-one (CID 150312877) is 3-benzyl-3-methoxy-4-phenylbutan-2-one.
What is the SMILES notation for 3-benzyl-3-methoxy-4-phenylbutan-2-one?
The canonical SMILES for 3-benzyl-3-methoxy-4-phenylbutan-2-one is COC(Cc1ccccc1)(Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-benzyl-3-methoxy-4-phenylbutan-2-one?
The InChIKey is GLZOMALSMBXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-15(19)18(20-2,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-benzyl-3-methoxy-4-phenylbutan-2-one?
3-benzyl-3-methoxy-4-phenylbutan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methoxy-4-phenylbutan-2-one is sourced from PubChem (CID 150312877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).