1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene

C13H19ClO2 — CID 112812708

IUPAC1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
SMILESCOCCOc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C13H19ClO2/c1-9(2)11-8-13(16-6-5-15-4)10(3)7-12(11)14/h7-9H,5-6H2,1-4H3
InChIKeyDGNNIJJKXJKUDP-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.80
Rot. Bonds5

About 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene

1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene (PubChem CID 112812708) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
PubChem CID112812708
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
SMILESCOCCOc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C13H19ClO2/c1-9(2)11-8-13(16-6-5-15-4)10(3)7-12(11)14/h7-9H,5-6H2,1-4H3
InChIKeyDGNNIJJKXJKUDP-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-3-methylbutan-2-amine
CID 63517874
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylpropanenitrile
CID 43174896
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 76905959
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495310
4-(chloromethyl)-2-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-thiazole
CID 43169736
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498695
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene (CID 112812708) is 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene is COCCOc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene?
The InChIKey is DGNNIJJKXJKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-9(2)11-8-13(16-6-5-15-4)10(3)7-12(11)14/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene?
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene has a molecular weight of 242.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 112812708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).