1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene

C20H29Cl — CID 158048784

IUPAC1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
SMILESC.CC(C)c1ccccc1Cl.Cc1ccccc1C(C)C
InChIInChI=1S/C10H14.C9H11Cl.CH4/c1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;/h4-8H,1-3H3;3-7H,1-2H3;1H4
InChIKeyFJFQBUNLCYQUJY-UHFFFAOYSA-N
MW304.90 g/mol
LogP7.22
Rot. Bonds2

About 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene

1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene (PubChem CID 158048784) has the molecular formula C20H29Cl and a molecular weight of 304.90 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
PubChem CID158048784
Molecular FormulaC20H29Cl
Molecular Weight304.90 g/mol
Exact Mass304.20
IUPAC Name1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
SMILESC.CC(C)c1ccccc1Cl.Cc1ccccc1C(C)C
InChIInChI=1S/C10H14.C9H11Cl.CH4/c1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;/h4-8H,1-3H3;3-7H,1-2H3;1H4
InChIKeyFJFQBUNLCYQUJY-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.90
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene (CID 158048784) is 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene is C.CC(C)c1ccccc1Cl.Cc1ccccc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene?
The InChIKey is FJFQBUNLCYQUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H11Cl.CH4/c1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;/h4-8H,1-3H3;3-7H,1-2H3;1H4.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene?
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene has a molecular weight of 304.90 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 158048784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).