2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene

C19H23Cl3 — CID 164993906

IUPAC2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
SMILESCC(C)c1c(Cl)cccc1Cl.Cc1ccc(C(C)C)c(Cl)c1
InChIInChI=1S/C10H13Cl.C9H10Cl2/c1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-7(10)4-3-5-8(9)11/h4-7H,1-3H3;3-6H,1-2H3
InChIKeyHGRWABDLLRQNGQ-UHFFFAOYSA-N
MW357.75 g/mol
LogP7.89
Rot. Bonds2

About 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene

2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene (PubChem CID 164993906) has the molecular formula C19H23Cl3 and a molecular weight of 357.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
PubChem CID164993906
Molecular FormulaC19H23Cl3
Molecular Weight357.75 g/mol
Exact Mass356.09
IUPAC Name2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
SMILESCC(C)c1c(Cl)cccc1Cl.Cc1ccc(C(C)C)c(Cl)c1
InChIInChI=1S/C10H13Cl.C9H10Cl2/c1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-7(10)4-3-5-8(9)11/h4-7H,1-3H3;3-6H,1-2H3
InChIKeyHGRWABDLLRQNGQ-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.75
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene?
The IUPAC name of 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene (CID 164993906) is 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene is CC(C)c1c(Cl)cccc1Cl.Cc1ccc(C(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene?
The InChIKey is HGRWABDLLRQNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.C9H10Cl2/c1-7(2)9-5-4-8(3)6-10(9)11;1-6(2)9-7(10)4-3-5-8(9)11/h4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene?
2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene has a molecular weight of 357.75 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene is sourced from PubChem (CID 164993906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).