1-(5-benzyl-2-methoxyphenyl)ethanone

C16H16O2 — CID 10681517

IUPAC1-(5-benzyl-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cc2ccccc2)cc1C(C)=O
InChIInChI=1S/C16H16O2/c1-12(17)15-11-14(8-9-16(15)18-2)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyYOKAFRXDSUEYPZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-benzyl-2-methoxyphenyl)ethanone

1-(5-benzyl-2-methoxyphenyl)ethanone (PubChem CID 10681517) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(5-benzyl-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-2-methoxyphenyl)ethanone
PubChem CID10681517
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(5-benzyl-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cc2ccccc2)cc1C(C)=O
InChIInChI=1S/C16H16O2/c1-12(17)15-11-14(8-9-16(15)18-2)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyYOKAFRXDSUEYPZ-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 22961575
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone;1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 160861227
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
(5-benzyl-2-methoxyphenyl)methanediol
CID 70401164
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
(5-benzyl-2-methoxyphenyl)methanethiol
CID 170413203
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
5-ethyl-2-methoxybenzoic acid
CID 20721149
(7-benzyl-4-hydroxy-3-methoxynaphthalen-1-yl) acetate
CID 19872975
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-benzyl-2-methoxyphenyl)ethanone (CID 10681517) is 1-(5-benzyl-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-benzyl-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-benzyl-2-methoxyphenyl)ethanone is COc1ccc(Cc2ccccc2)cc1C(C)=O.
What is the InChIKey of 1-(5-benzyl-2-methoxyphenyl)ethanone?
The InChIKey is YOKAFRXDSUEYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(17)15-11-14(8-9-16(15)18-2)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(5-benzyl-2-methoxyphenyl)ethanone?
1-(5-benzyl-2-methoxyphenyl)ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2-methoxyphenyl)ethanone is sourced from PubChem (CID 10681517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).