chlorobenzene;pentanoyl chloride

C11H14Cl2O — CID 174976374

IUPACchlorobenzene;pentanoyl chloride
SMILESCCCCC(=O)Cl.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C5H9ClO/c7-6-4-2-1-3-5-6;1-2-3-4-5(6)7/h1-5H;2-4H2,1H3
InChIKeyTXDYWUKYQXSESN-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.28
Rot. Bonds3

About chlorobenzene;pentanoyl chloride

chlorobenzene;pentanoyl chloride (PubChem CID 174976374) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is chlorobenzene;pentanoyl chloride.

Molecular Properties

Compound Namechlorobenzene;pentanoyl chloride
PubChem CID174976374
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Namechlorobenzene;pentanoyl chloride
SMILESCCCCC(=O)Cl.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C5H9ClO/c7-6-4-2-1-3-5-6;1-2-3-4-5(6)7/h1-5H;2-4H2,1H3
InChIKeyTXDYWUKYQXSESN-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

benzene;hexanoyl chloride
CID 174698331
octanoyl chloride;toluene
CID 175179204
pentanoyl chloride;hydrofluoride
CID 174423538
butan-1-ol;chlorobenzene;hydrate
CID 174932999
(Z)-octadec-9-enoyl chloride;toluene
CID 175284175
4-phenylbutanoyl chloride
CID 11789865
chlorobenzene;methanol
CID 20549646
ethane;1-phenylpentan-1-one
CID 143728184
(E)-3-(4-chlorophenyl)hept-2-enoic acid
CID 82049214
2-[2-(4-chlorophenyl)prop-1-enylidene]hexanoic acid
CID 176521132
S-phenylselanyl pentanethioate
CID 14249104
chlorobenzene;undecane-5,5-diol
CID 159903559

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;pentanoyl chloride?
The IUPAC name of chlorobenzene;pentanoyl chloride (CID 174976374) is chlorobenzene;pentanoyl chloride.
What is the SMILES notation for chlorobenzene;pentanoyl chloride?
The canonical SMILES for chlorobenzene;pentanoyl chloride is CCCCC(=O)Cl.Clc1ccccc1.
What is the InChIKey of chlorobenzene;pentanoyl chloride?
The InChIKey is TXDYWUKYQXSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C5H9ClO/c7-6-4-2-1-3-5-6;1-2-3-4-5(6)7/h1-5H;2-4H2,1H3.
What are the key properties of chlorobenzene;pentanoyl chloride?
chlorobenzene;pentanoyl chloride has a molecular weight of 233.14 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;pentanoyl chloride is sourced from PubChem (CID 174976374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).