2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene

C11H15ClO — CID 118299415

IUPAC2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCc1ccc(OC(C)(C)C)cc1Cl
InChIInChI=1S/C11H15ClO/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7H,1-4H3
InChIKeyABZBERKXZZZHGM-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.83
Rot. Bonds1

About 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene

2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 118299415) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID118299415
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCc1ccc(OC(C)(C)C)cc1Cl
InChIInChI=1S/C11H15ClO/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7H,1-4H3
InChIKeyABZBERKXZZZHGM-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene (CID 118299415) is 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene is Cc1ccc(OC(C)(C)C)cc1Cl.
What is the InChIKey of 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is ABZBERKXZZZHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8-5-6-9(7-10(8)12)13-11(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 198.69 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 118299415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).