1-tert-butyl-3,5-dichlorobenzene

C10H12Cl2 — CID 23557572

IUPAC1-tert-butyl-3,5-dichlorobenzene
SMILESCC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChIKeyZFHLUUHAMWNEJI-UHFFFAOYSA-N
MW203.11 g/mol
LogP4.29
Rot. Bonds

About 1-tert-butyl-3,5-dichlorobenzene

1-tert-butyl-3,5-dichlorobenzene (PubChem CID 23557572) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-tert-butyl-3,5-dichlorobenzene
PubChem CID23557572
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name1-tert-butyl-3,5-dichlorobenzene
SMILESCC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChIKeyZFHLUUHAMWNEJI-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-amino-1-(3,5-dichlorophenyl)ethanol
CID 23370682
1,3-dichloro-5-[1-[2-(3,5-dichlorophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 57017797
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
1,3-dichloro-5-(trimethoxymethyl)benzene;ethane
CID 156791864
sulfane;1,3,5-trichlorobenzene
CID 174951805
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene
CID 19736782
3-(3,5-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588757
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
2-(3,5-dichlorophenyl)-2-hydroxypropanimidamide
CID 83389889
2-(3-chloro-5-fluorophenyl)propan-2-ol
CID 84661761

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dichlorobenzene?
The IUPAC name of 1-tert-butyl-3,5-dichlorobenzene (CID 23557572) is 1-tert-butyl-3,5-dichlorobenzene.
What is the SMILES notation for 1-tert-butyl-3,5-dichlorobenzene?
The canonical SMILES for 1-tert-butyl-3,5-dichlorobenzene is CC(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-tert-butyl-3,5-dichlorobenzene?
The InChIKey is ZFHLUUHAMWNEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3.
What are the key properties of 1-tert-butyl-3,5-dichlorobenzene?
1-tert-butyl-3,5-dichlorobenzene has a molecular weight of 203.11 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dichlorobenzene is sourced from PubChem (CID 23557572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).