1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene

C11H15ClO — CID 3592868

IUPAC1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C11H15ClO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,1-4H3
InChIKeyYNJGJMNRDOIOQS-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.78
Rot. Bonds2

About 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene

1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene (PubChem CID 3592868) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene
PubChem CID3592868
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C)c(Cl)cc1C(C)C
InChIInChI=1S/C11H15ClO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,1-4H3
InChIKeyYNJGJMNRDOIOQS-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene?
The IUPAC name of 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene (CID 3592868) is 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene is COc1cc(C)c(Cl)cc1C(C)C.
What is the InChIKey of 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene?
The InChIKey is YNJGJMNRDOIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,1-4H3.
What are the key properties of 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene?
1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene has a molecular weight of 198.69 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene is sourced from PubChem (CID 3592868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).