1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene

C12H15Cl3 — CID 63436363

IUPAC1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
SMILESCCC(CC)C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-3-8(4-2)12(15)9-5-6-10(13)11(14)7-9/h5-8,12H,3-4H2,1-2H3
InChIKeyVHADOEIJYMIIIS-UHFFFAOYSA-N
MW265.61 g/mol
LogP5.71
Rot. Bonds4

About 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene

1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene (PubChem CID 63436363) has the molecular formula C12H15Cl3 and a molecular weight of 265.61 g/mol. Its IUPAC name is 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
PubChem CID63436363
Molecular FormulaC12H15Cl3
Molecular Weight265.61 g/mol
Exact Mass264.02
IUPAC Name1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
SMILESCCC(CC)C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl3/c1-3-8(4-2)12(15)9-5-6-10(13)11(14)7-9/h5-8,12H,3-4H2,1-2H3
InChIKeyVHADOEIJYMIIIS-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.61
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
CID 62084023
1,2-dichloro-4-(3-chlorohexan-2-yl)benzene
CID 83051567
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
1,2-dichloro-4-[(3R)-hex-4-en-3-yl]benzene
CID 67630607

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene?
The IUPAC name of 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene (CID 63436363) is 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene is CCC(CC)C(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene?
The InChIKey is VHADOEIJYMIIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3/c1-3-8(4-2)12(15)9-5-6-10(13)11(14)7-9/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene?
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene has a molecular weight of 265.61 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene is sourced from PubChem (CID 63436363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).