2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone

C19H22O2 — CID 86085296

IUPAC2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
SMILESCCCCc1ccc(CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O2/c1-3-4-5-15-6-8-16(9-7-15)14-19(20)17-10-12-18(21-2)13-11-17/h6-13H,3-5,14H2,1-2H3
InChIKeyXTOTWVGNSBUDHK-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.46
Rot. Bonds7

About 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone

2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone (PubChem CID 86085296) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
PubChem CID86085296
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
SMILESCCCCc1ccc(CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O2/c1-3-4-5-15-6-8-16(9-7-15)14-19(20)17-10-12-18(21-2)13-11-17/h6-13H,3-5,14H2,1-2H3
InChIKeyXTOTWVGNSBUDHK-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 19757563
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone (CID 86085296) is 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone is CCCCc1ccc(CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is XTOTWVGNSBUDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-4-5-15-6-8-16(9-7-15)14-19(20)17-10-12-18(21-2)13-11-17/h6-13H,3-5,14H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone?
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 86085296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).