2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene

C12H17ClO2 — CID 112828342

IUPAC2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
SMILESCCOCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C12H17ClO2/c1-4-14-5-6-15-11-7-9(2)12(13)10(3)8-11/h7-8H,4-6H2,1-3H3
InChIKeyBRNLZRYLLMVSIF-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.37
Rot. Bonds5

About 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene

2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene (PubChem CID 112828342) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
PubChem CID112828342
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
SMILESCCOCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C12H17ClO2/c1-4-14-5-6-15-11-7-9(2)12(13)10(3)8-11/h7-8H,4-6H2,1-3H3
InChIKeyBRNLZRYLLMVSIF-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.37
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

2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene
CID 163990086
N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935653
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
CID 17140821
4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]benzonitrile
CID 22683271
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]propan-1-amine
CID 82353498
2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
CID 2284147
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924
N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17113048
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene (CID 112828342) is 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene is CCOCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene?
The InChIKey is BRNLZRYLLMVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-4-14-5-6-15-11-7-9(2)12(13)10(3)8-11/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene?
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene has a molecular weight of 228.72 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 112828342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).