4-butan-2-yl-1,2-dichlorobenzene

C10H12Cl2 — CID 22095706

IUPAC4-butan-2-yl-1,2-dichlorobenzene
SMILESCCC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2/c1-3-7(2)8-4-5-9(11)10(12)6-8/h4-7H,3H2,1-2H3
InChIKeyVXHOYXRMOOUWNP-UHFFFAOYSA-N
MW203.11 g/mol
LogP4.51
Rot. Bonds2

About 4-butan-2-yl-1,2-dichlorobenzene

4-butan-2-yl-1,2-dichlorobenzene (PubChem CID 22095706) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 4-butan-2-yl-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-butan-2-yl-1,2-dichlorobenzene
PubChem CID22095706
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name4-butan-2-yl-1,2-dichlorobenzene
SMILESCCC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2/c1-3-7(2)8-4-5-9(11)10(12)6-8/h4-7H,3H2,1-2H3
InChIKeyVXHOYXRMOOUWNP-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
5-butan-2-yl-2-chlorobenzamide
CID 129129656
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
2-[2-(3,4-dichlorophenyl)propyl]-3-ethyloxirane
CID 83931297
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
CID 62084023
2-(5-butan-2-yl-2-chlorophenyl)pyridine
CID 123184659
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,2-dichlorobenzene?
The IUPAC name of 4-butan-2-yl-1,2-dichlorobenzene (CID 22095706) is 4-butan-2-yl-1,2-dichlorobenzene.
What is the SMILES notation for 4-butan-2-yl-1,2-dichlorobenzene?
The canonical SMILES for 4-butan-2-yl-1,2-dichlorobenzene is CCC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-butan-2-yl-1,2-dichlorobenzene?
The InChIKey is VXHOYXRMOOUWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-3-7(2)8-4-5-9(11)10(12)6-8/h4-7H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-1,2-dichlorobenzene?
4-butan-2-yl-1,2-dichlorobenzene has a molecular weight of 203.11 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,2-dichlorobenzene is sourced from PubChem (CID 22095706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).