1-(2-chloroethoxy)-2-ethylbenzene

C10H13ClO — CID 43173826

IUPAC1-(2-chloroethoxy)-2-ethylbenzene
SMILESCCc1ccccc1OCCCl
InChIInChI=1S/C10H13ClO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,7-8H2,1H3
InChIKeyZOMHVWOIVQJMTM-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.87
Rot. Bonds4

About 1-(2-chloroethoxy)-2-ethylbenzene

1-(2-chloroethoxy)-2-ethylbenzene (PubChem CID 43173826) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2-ethylbenzene.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2-ethylbenzene
PubChem CID43173826
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-(2-chloroethoxy)-2-ethylbenzene
SMILESCCc1ccccc1OCCCl
InChIInChI=1S/C10H13ClO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,7-8H2,1H3
InChIKeyZOMHVWOIVQJMTM-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.87
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

ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-(3-bromopropoxy)-2-ethylbenzene
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N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
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N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
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CID 70628268
CID 70628268
5-(2-ethylphenoxy)pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-2-ethylbenzene?
The IUPAC name of 1-(2-chloroethoxy)-2-ethylbenzene (CID 43173826) is 1-(2-chloroethoxy)-2-ethylbenzene.
What is the SMILES notation for 1-(2-chloroethoxy)-2-ethylbenzene?
The canonical SMILES for 1-(2-chloroethoxy)-2-ethylbenzene is CCc1ccccc1OCCCl.
What is the InChIKey of 1-(2-chloroethoxy)-2-ethylbenzene?
The InChIKey is ZOMHVWOIVQJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(2-chloroethoxy)-2-ethylbenzene?
1-(2-chloroethoxy)-2-ethylbenzene has a molecular weight of 184.67 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2-ethylbenzene is sourced from PubChem (CID 43173826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).