4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene

C11H15ClO2 — CID 118332091

IUPAC4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene
SMILESCOCOc1ccc(Cl)cc1C(C)C
InChIInChI=1S/C11H15ClO2/c1-8(2)10-6-9(12)4-5-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyRQQDFPNZFUYNSA-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.45
Rot. Bonds4

About 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene

4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene (PubChem CID 118332091) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene
PubChem CID118332091
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene
SMILESCOCOc1ccc(Cl)cc1C(C)C
InChIInChI=1S/C11H15ClO2/c1-8(2)10-6-9(12)4-5-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyRQQDFPNZFUYNSA-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene?
The IUPAC name of 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene (CID 118332091) is 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene?
The canonical SMILES for 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene is COCOc1ccc(Cl)cc1C(C)C.
What is the InChIKey of 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene?
The InChIKey is RQQDFPNZFUYNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-8(2)10-6-9(12)4-5-11(10)14-7-13-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene?
4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene has a molecular weight of 214.69 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(methoxymethoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 118332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).