2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene

C15H21ClO2 — CID 15162635

IUPAC2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C2(Cl)C(C)(C)C2(C)C)c1
InChIInChI=1S/C15H21ClO2/c1-13(2)14(3,4)15(13,16)11-9-10(17-5)7-8-12(11)18-6/h7-9H,1-6H3
InChIKeyLUCYDBNZHYCEJG-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.20
Rot. Bonds3

About 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene

2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene (PubChem CID 15162635) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
PubChem CID15162635
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C2(Cl)C(C)(C)C2(C)C)c1
InChIInChI=1S/C15H21ClO2/c1-13(2)14(3,4)15(13,16)11-9-10(17-5)7-8-12(11)18-6/h7-9H,1-6H3
InChIKeyLUCYDBNZHYCEJG-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
CID 116540274
2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 64667055
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
3-(2,5-dimethoxyphenyl)-3,5,5-trimethylpiperidine
CID 82303319
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538682
[2-(2,5-dimethoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 79017767
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene (CID 15162635) is 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(C2(Cl)C(C)(C)C2(C)C)c1.
What is the InChIKey of 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene?
The InChIKey is LUCYDBNZHYCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-13(2)14(3,4)15(13,16)11-9-10(17-5)7-8-12(11)18-6/h7-9H,1-6H3.
What are the key properties of 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene?
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene has a molecular weight of 268.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 15162635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).