2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene

C14H21ClO2 — CID 63429238

IUPAC2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
SMILESCCC(CC)C(Cl)c1cc(OC)ccc1OC
InChIInChI=1S/C14H21ClO2/c1-5-10(6-2)14(15)12-9-11(16-3)7-8-13(12)17-4/h7-10,14H,5-6H2,1-4H3
InChIKeyZHORDIRNKQVQNA-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.42
Rot. Bonds6

About 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene

2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene (PubChem CID 63429238) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
PubChem CID63429238
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
SMILESCCC(CC)C(Cl)c1cc(OC)ccc1OC
InChIInChI=1S/C14H21ClO2/c1-5-10(6-2)14(15)12-9-11(16-3)7-8-13(12)17-4/h7-10,14H,5-6H2,1-4H3
InChIKeyZHORDIRNKQVQNA-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.42
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

2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-(1-chloro-2-ethylbutyl)-4-methoxynaphthalene
CID 63430865
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
CID 62226434
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene (CID 63429238) is 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene is CCC(CC)C(Cl)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene?
The InChIKey is ZHORDIRNKQVQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-5-10(6-2)14(15)12-9-11(16-3)7-8-13(12)17-4/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene?
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene has a molecular weight of 256.77 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 63429238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).