2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone

C17H18O2 — CID 58400732

IUPAC2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18O2/c1-12-4-7-14(8-5-12)16(18)11-15-9-6-13(2)10-17(15)19-3/h4-10H,11H2,1-3H3
InChIKeyPSERLWBLFFTXLF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.74
Rot. Bonds4

About 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone

2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone (PubChem CID 58400732) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
PubChem CID58400732
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18O2/c1-12-4-7-14(8-5-12)16(18)11-15-9-6-13(2)10-17(15)19-3/h4-10H,11H2,1-3H3
InChIKeyPSERLWBLFFTXLF-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone
CID 168803173
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
1-[4-(aminomethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116548317
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 116577757
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965738

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone (CID 58400732) is 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone is COc1cc(C)ccc1CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone?
The InChIKey is PSERLWBLFFTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-4-7-14(8-5-12)16(18)11-15-9-6-13(2)10-17(15)19-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone?
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 58400732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).