1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene

C18H21Cl3 — CID 158524706

IUPAC1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2.C9H11Cl/c1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8/h3-6H,1-2H3;3-7H,1-2H3
InChIKeyHMQNZFMLCIWHGH-UHFFFAOYSA-N
MW343.73 g/mol
LogP7.58
Rot. Bonds2

About 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene

1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene (PubChem CID 158524706) has the molecular formula C18H21Cl3 and a molecular weight of 343.73 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
PubChem CID158524706
Molecular FormulaC18H21Cl3
Molecular Weight343.73 g/mol
Exact Mass342.07
IUPAC Name1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2.C9H11Cl/c1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8/h3-6H,1-2H3;3-7H,1-2H3
InChIKeyHMQNZFMLCIWHGH-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.73
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
1,2-dichloro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158586439
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene
CID 144880341
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene?
The IUPAC name of 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene (CID 158524706) is 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene is CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene?
The InChIKey is HMQNZFMLCIWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2.C9H11Cl/c1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8/h3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene?
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene has a molecular weight of 343.73 g/mol, XLogP of 7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene is sourced from PubChem (CID 158524706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).