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

C18H22Cl2 — CID 162264964

IUPACcumene;2,4-dichloro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1
InChIInChI=1S/C9H10Cl2.C9H12/c1-6(2)8-4-3-7(10)5-9(8)11;1-8(2)9-6-4-3-5-7-9/h3-6H,1-2H3;3-8H,1-2H3
InChIKeyZZTWECNMONOTCV-UHFFFAOYSA-N
MW309.28 g/mol
LogP6.93
Rot. Bonds2

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

cumene;2,4-dichloro-1-propan-2-ylbenzene (PubChem CID 162264964) has the molecular formula C18H22Cl2 and a molecular weight of 309.28 g/mol. Its IUPAC name is cumene;2,4-dichloro-1-propan-2-ylbenzene.

Molecular Properties

Compound Namecumene;2,4-dichloro-1-propan-2-ylbenzene
PubChem CID162264964
Molecular FormulaC18H22Cl2
Molecular Weight309.28 g/mol
Exact Mass308.11
IUPAC Namecumene;2,4-dichloro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1
InChIInChI=1S/C9H10Cl2.C9H12/c1-6(2)8-4-3-7(10)5-9(8)11;1-8(2)9-6-4-3-5-7-9/h3-6H,1-2H3;3-8H,1-2H3
InChIKeyZZTWECNMONOTCV-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.28
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
1,2-dichloro-4-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158586439
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155564613
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
2,4-dichloro-1-(2-propan-2-ylphenyl)benzene
CID 54387029

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dichloro-1-propan-2-ylbenzene?
The IUPAC name of cumene;2,4-dichloro-1-propan-2-ylbenzene (CID 162264964) is cumene;2,4-dichloro-1-propan-2-ylbenzene.
What is the SMILES notation for cumene;2,4-dichloro-1-propan-2-ylbenzene?
The canonical SMILES for cumene;2,4-dichloro-1-propan-2-ylbenzene is CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccccc1.
What is the InChIKey of cumene;2,4-dichloro-1-propan-2-ylbenzene?
The InChIKey is ZZTWECNMONOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2.C9H12/c1-6(2)8-4-3-7(10)5-9(8)11;1-8(2)9-6-4-3-5-7-9/h3-6H,1-2H3;3-8H,1-2H3.
What are the key properties of cumene;2,4-dichloro-1-propan-2-ylbenzene?
cumene;2,4-dichloro-1-propan-2-ylbenzene has a molecular weight of 309.28 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2,4-dichloro-1-propan-2-ylbenzene is sourced from PubChem (CID 162264964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).