1-(4-methylphenyl)ethanone;hydrochloride

C9H11ClO — CID 172692328

IUPAC1-(4-methylphenyl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C9H10O.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6H,1-2H3;1H
InChIKeyBVPMBKAJYUTQRX-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.62
Rot. Bonds1

About 1-(4-methylphenyl)ethanone;hydrochloride

1-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 172692328) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)ethanone;hydrochloride
PubChem CID172692328
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name1-(4-methylphenyl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C9H10O.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6H,1-2H3;1H
InChIKeyBVPMBKAJYUTQRX-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-acetylphenyl)ethanone;methane
CID 159515104
methyl-(4-methylphenyl)diazene;bis(1-(4-methylphenyl)ethanone)
CID 159441223
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171
1-[4-[2-[4-(4-methylphenyl)phenyl]ethynyl]phenyl]ethanone
CID 18738024
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
methanesulfonic acid;1-[4-(4-methylphenoxy)phenyl]ethanone
CID 90969067
1-(4-methylphenyl)ethanone;molecular hydrogen;prop-2-yn-1-amine
CID 142174949
methanesulfonic acid;bis(1-[4-[4-(4-methylphenoxy)phenoxy]phenyl]ethanone)
CID 158564217
acetic acid;4-methylbenzoic acid
CID 68925030
1-(4-methylphenyl)ethanone;pentan-2-one;toluene
CID 157441299
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)ethanone;hydrochloride (CID 172692328) is 1-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)ethanone;hydrochloride is CC(=O)c1ccc(C)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is BVPMBKAJYUTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.ClH/c1-7-3-5-9(6-4-7)8(2)10;/h3-6H,1-2H3;1H.
What are the key properties of 1-(4-methylphenyl)ethanone;hydrochloride?
1-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 170.64 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 172692328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).