1,2-dichloro-3-(ethoxymethyl)benzene

C9H10Cl2O — CID 67865142

IUPAC1,2-dichloro-3-(ethoxymethyl)benzene
SMILESCCOCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2O/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5H,2,6H2,1H3
InChIKeyDUOBBXDMIKNXLP-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.53
Rot. Bonds3

About 1,2-dichloro-3-(ethoxymethyl)benzene

1,2-dichloro-3-(ethoxymethyl)benzene (PubChem CID 67865142) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1,2-dichloro-3-(ethoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(ethoxymethyl)benzene
PubChem CID67865142
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1,2-dichloro-3-(ethoxymethyl)benzene
SMILESCCOCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2O/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5H,2,6H2,1H3
InChIKeyDUOBBXDMIKNXLP-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-Dichlorophenyl)methanol
CID 228603
Ether, bis(2,6-dichlorobenzyl)
CID 52735
1-[(Aminooxy)methyl]-2,3-dichlorobenzene hydrochloride
CID 18525980
Bis(p-chlorobenzyl) ether
CID 41869
Tritac
CID 15829
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
O-(3,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 21683122
2-Propanol, ((2,3,6-trichlorobenzyl)oxy)-
CID 214815
2-Chlorobenzyl chloroformate
CID 4072342
(2R)-2-(3,4-dichlorophenyl)oxirane
CID 10352473
2-(3,4-Dichloro-phenyl)-oxirane
CID 13521714
(1S)-1-(2,3-dichlorophenyl)ethan-1-ol
CID 103920518

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(ethoxymethyl)benzene?
The IUPAC name of 1,2-dichloro-3-(ethoxymethyl)benzene (CID 67865142) is 1,2-dichloro-3-(ethoxymethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(ethoxymethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(ethoxymethyl)benzene is CCOCc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(ethoxymethyl)benzene?
The InChIKey is DUOBBXDMIKNXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5H,2,6H2,1H3.
What are the key properties of 1,2-dichloro-3-(ethoxymethyl)benzene?
1,2-dichloro-3-(ethoxymethyl)benzene has a molecular weight of 205.08 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(ethoxymethyl)benzene is sourced from PubChem (CID 67865142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).