1-(2-chloroethoxy)-2,3-dimethylbenzene

C10H13ClO — CID 15086422

IUPAC1-(2-chloroethoxy)-2,3-dimethylbenzene
SMILESCc1cccc(OCCCl)c1C
InChIInChI=1S/C10H13ClO/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3-5H,6-7H2,1-2H3
InChIKeyCLENXLUIFFCYAE-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.92
Rot. Bonds3

About 1-(2-chloroethoxy)-2,3-dimethylbenzene

1-(2-chloroethoxy)-2,3-dimethylbenzene (PubChem CID 15086422) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2,3-dimethylbenzene
PubChem CID15086422
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-(2-chloroethoxy)-2,3-dimethylbenzene
SMILESCc1cccc(OCCCl)c1C
InChIInChI=1S/C10H13ClO/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3-5H,6-7H2,1-2H3
InChIKeyCLENXLUIFFCYAE-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
2-chloroethoxy-bis(2,3-dimethylphenoxy)-sulfanylidene-lambda5-phosphane
CID 10916000
3-(2,3-dimethylphenoxy)propanethioamide
CID 7745565
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
1-(2-azidoethoxy)-2,3-dimethylbenzene
CID 61397204
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 113226849
1-[4-(2-chloroethoxy)phenyl]-2,3-dimethylbenzene
CID 82121549
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-2,3-dimethylbenzene?
The IUPAC name of 1-(2-chloroethoxy)-2,3-dimethylbenzene (CID 15086422) is 1-(2-chloroethoxy)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(2-chloroethoxy)-2,3-dimethylbenzene?
The canonical SMILES for 1-(2-chloroethoxy)-2,3-dimethylbenzene is Cc1cccc(OCCCl)c1C.
What is the InChIKey of 1-(2-chloroethoxy)-2,3-dimethylbenzene?
The InChIKey is CLENXLUIFFCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-8-4-3-5-10(9(8)2)12-7-6-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloroethoxy)-2,3-dimethylbenzene?
1-(2-chloroethoxy)-2,3-dimethylbenzene has a molecular weight of 184.67 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2,3-dimethylbenzene is sourced from PubChem (CID 15086422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).