1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone

C17H18O2 — CID 102035798

IUPAC1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
SMILESCOc1cccc(CCc2ccccc2)c1C(C)=O
InChIInChI=1S/C17H18O2/c1-13(18)17-15(9-6-10-16(17)19-2)12-11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3
InChIKeyXLPZGBADBLLRKS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone

1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone (PubChem CID 102035798) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
PubChem CID102035798
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
SMILESCOc1cccc(CCc2ccccc2)c1C(C)=O
InChIInChI=1S/C17H18O2/c1-13(18)17-15(9-6-10-16(17)19-2)12-11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3
InChIKeyXLPZGBADBLLRKS-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
(2-acetyl-3-methoxyphenyl) benzoate
CID 14572161
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
1-(2-methoxy-6-sulfanylphenyl)-3-phenylpropan-1-one
CID 67135833
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
methyl 2-(2-phenylethyl)benzoate
CID 59701000

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone (CID 102035798) is 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone is COc1cccc(CCc2ccccc2)c1C(C)=O.
What is the InChIKey of 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone?
The InChIKey is XLPZGBADBLLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(18)17-15(9-6-10-16(17)19-2)12-11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone?
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone is sourced from PubChem (CID 102035798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).