4-chloro-2-(2-chloroethoxy)-1-methoxybenzene

C9H10Cl2O2 — CID 19982180

IUPAC4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1OCCCl
InChIInChI=1S/C9H10Cl2O2/c1-12-8-3-2-7(11)6-9(8)13-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyOCIZBVKORPGSJS-UHFFFAOYSA-N
MW221.08 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene

4-chloro-2-(2-chloroethoxy)-1-methoxybenzene (PubChem CID 19982180) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
PubChem CID19982180
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1OCCCl
InChIInChI=1S/C9H10Cl2O2/c1-12-8-3-2-7(11)6-9(8)13-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyOCIZBVKORPGSJS-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 52.97
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-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
(4-chloro-2-methoxyphenyl) 4-(4-chloro-2-methoxyphenoxy)butanoate
CID 14661643
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
CID 175597573
CID 175597573
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzoic acid
CID 20988525
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene (CID 19982180) is 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene is COc1ccc(Cl)cc1OCCCl.
What is the InChIKey of 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene?
The InChIKey is OCIZBVKORPGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-12-8-3-2-7(11)6-9(8)13-5-4-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene?
4-chloro-2-(2-chloroethoxy)-1-methoxybenzene has a molecular weight of 221.08 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethoxy)-1-methoxybenzene is sourced from PubChem (CID 19982180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).