1-(4-methoxyphenyl)butan-1-one;hydrochloride

C11H15ClO2 — CID 162084347

IUPAC1-(4-methoxyphenyl)butan-1-one;hydrochloride
SMILESCCCC(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C11H14O2.ClH/c1-3-4-11(12)9-5-7-10(13-2)8-6-9;/h5-8H,3-4H2,1-2H3;1H
InChIKeyZCTKZUNBOOAUAF-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-methoxyphenyl)butan-1-one;hydrochloride

1-(4-methoxyphenyl)butan-1-one;hydrochloride (PubChem CID 162084347) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)butan-1-one;hydrochloride
PubChem CID162084347
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(4-methoxyphenyl)butan-1-one;hydrochloride
SMILESCCCC(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C11H14O2.ClH/c1-3-4-11(12)9-5-7-10(13-2)8-6-9;/h5-8H,3-4H2,1-2H3;1H
InChIKeyZCTKZUNBOOAUAF-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-(4-ethenoxyphenyl)butan-1-one
CID 151638835
bis[3-(4-methoxyphenyl)-3-oxopropyl]-methylazanium chloride
CID 11760996
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)butan-1-one;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)butan-1-one;hydrochloride (CID 162084347) is 1-(4-methoxyphenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)butan-1-one;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)butan-1-one;hydrochloride is CCCC(=O)c1ccc(OC)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)butan-1-one;hydrochloride?
The InChIKey is ZCTKZUNBOOAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.ClH/c1-3-4-11(12)9-5-7-10(13-2)8-6-9;/h5-8H,3-4H2,1-2H3;1H.
What are the key properties of 1-(4-methoxyphenyl)butan-1-one;hydrochloride?
1-(4-methoxyphenyl)butan-1-one;hydrochloride has a molecular weight of 214.69 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 162084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).