1-(2-chlorophenyl)ethanone;hydrochloride

C8H8Cl2O — CID 174743581

IUPAC1-(2-chlorophenyl)ethanone;hydrochloride
SMILESCC(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C8H7ClO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,1H3;1H
InChIKeyOXKFMMCSPYKGMY-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.96
Rot. Bonds1

About 1-(2-chlorophenyl)ethanone;hydrochloride

1-(2-chlorophenyl)ethanone;hydrochloride (PubChem CID 174743581) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethanone;hydrochloride
PubChem CID174743581
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name1-(2-chlorophenyl)ethanone;hydrochloride
SMILESCC(=O)c1ccccc1Cl.Cl
InChIInChI=1S/C8H7ClO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,1H3;1H
InChIKeyOXKFMMCSPYKGMY-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
CID 161063575
1-(2-acetylphenyl)ethanone;methane
CID 158210616
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
1-chloro-2-(3-methylbut-2-en-2-yl)benzene
CID 139836771
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid
CID 126623021
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
ethane;1-(2-methylphenyl)ethanone
CID 91374073

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethanone;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)ethanone;hydrochloride (CID 174743581) is 1-(2-chlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)ethanone;hydrochloride is CC(=O)c1ccccc1Cl.Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethanone;hydrochloride?
The InChIKey is OXKFMMCSPYKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)ethanone;hydrochloride?
1-(2-chlorophenyl)ethanone;hydrochloride has a molecular weight of 191.06 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 174743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).