1-chloro-4-methyl-2-propan-2-yloxybenzene

C10H13ClO — CID 58905367

IUPAC1-chloro-4-methyl-2-propan-2-yloxybenzene
SMILESCc1ccc(Cl)c(OC(C)C)c1
InChIInChI=1S/C10H13ClO/c1-7(2)12-10-6-8(3)4-5-9(10)11/h4-7H,1-3H3
InChIKeyUWDDSHXMLQUFFE-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.44
Rot. Bonds2

About 1-chloro-4-methyl-2-propan-2-yloxybenzene

1-chloro-4-methyl-2-propan-2-yloxybenzene (PubChem CID 58905367) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-propan-2-yloxybenzene
PubChem CID58905367
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-4-methyl-2-propan-2-yloxybenzene
SMILESCc1ccc(Cl)c(OC(C)C)c1
InChIInChI=1S/C10H13ClO/c1-7(2)12-10-6-8(3)4-5-9(10)11/h4-7H,1-3H3
InChIKeyUWDDSHXMLQUFFE-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-propan-2-yloxybenzene?
The IUPAC name of 1-chloro-4-methyl-2-propan-2-yloxybenzene (CID 58905367) is 1-chloro-4-methyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-chloro-4-methyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-chloro-4-methyl-2-propan-2-yloxybenzene is Cc1ccc(Cl)c(OC(C)C)c1.
What is the InChIKey of 1-chloro-4-methyl-2-propan-2-yloxybenzene?
The InChIKey is UWDDSHXMLQUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-7(2)12-10-6-8(3)4-5-9(10)11/h4-7H,1-3H3.
What are the key properties of 1-chloro-4-methyl-2-propan-2-yloxybenzene?
1-chloro-4-methyl-2-propan-2-yloxybenzene has a molecular weight of 184.67 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 58905367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).