4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide

C10H15ClO2 — CID 175483234

IUPAC4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
SMILESCc1cc(Cl)ccc1C(C)C.OO
InChIInChI=1S/C10H13Cl.H2O2/c1-7(2)10-5-4-9(11)6-8(10)3;1-2/h4-7H,1-3H3;1-2H
InChIKeyVRQYOIPRXCSTLU-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.79
Rot. Bonds1

About 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide

4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide (PubChem CID 175483234) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide.

Molecular Properties

Compound Name4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
PubChem CID175483234
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
SMILESCc1cc(Cl)ccc1C(C)C.OO
InChIInChI=1S/C10H13Cl.H2O2/c1-7(2)10-5-4-9(11)6-8(10)3;1-2/h4-7H,1-3H3;1-2H
InChIKeyVRQYOIPRXCSTLU-UHFFFAOYSA-N
XLogP3.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene
CID 123297627
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183
3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid
CID 114075737
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide?
The IUPAC name of 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide (CID 175483234) is 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide.
What is the SMILES notation for 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide?
The canonical SMILES for 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide is Cc1cc(Cl)ccc1C(C)C.OO.
What is the InChIKey of 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide?
The InChIKey is VRQYOIPRXCSTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.H2O2/c1-7(2)10-5-4-9(11)6-8(10)3;1-2/h4-7H,1-3H3;1-2H.
What are the key properties of 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide?
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide has a molecular weight of 202.68 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide is sourced from PubChem (CID 175483234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).