1,5-dichloro-3-ethoxy-2-propoxybenzene

C11H14Cl2O2 — CID 125116590

IUPAC1,5-dichloro-3-ethoxy-2-propoxybenzene
SMILESCCCOc1c(Cl)cc(Cl)cc1OCC
InChIInChI=1S/C11H14Cl2O2/c1-3-5-15-11-9(13)6-8(12)7-10(11)14-4-2/h6-7H,3-5H2,1-2H3
InChIKeyUGJPCORUEHMDRG-UHFFFAOYSA-N
MW249.14 g/mol
LogP4.18
Rot. Bonds5

About 1,5-dichloro-3-ethoxy-2-propoxybenzene

1,5-dichloro-3-ethoxy-2-propoxybenzene (PubChem CID 125116590) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1,5-dichloro-3-ethoxy-2-propoxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-ethoxy-2-propoxybenzene
PubChem CID125116590
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name1,5-dichloro-3-ethoxy-2-propoxybenzene
SMILESCCCOc1c(Cl)cc(Cl)cc1OCC
InChIInChI=1S/C11H14Cl2O2/c1-3-5-15-11-9(13)6-8(12)7-10(11)14-4-2/h6-7H,3-5H2,1-2H3
InChIKeyUGJPCORUEHMDRG-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-ethoxy-4-propoxyphenyl)boronic acid
CID 74889354
3,5-dichloro-2-propoxyphenol
CID 82267104
5-bromo-1-chloro-2-ethoxy-3-propoxybenzene
CID 125116272
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
CID 83952634
(Z)-1-(3-chloro-5-ethoxy-4-propoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 110508637
(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 9017543
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]pentan-1-amine
CID 29226512
3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
CID 56530425
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 29226592

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-ethoxy-2-propoxybenzene?
The IUPAC name of 1,5-dichloro-3-ethoxy-2-propoxybenzene (CID 125116590) is 1,5-dichloro-3-ethoxy-2-propoxybenzene.
What is the SMILES notation for 1,5-dichloro-3-ethoxy-2-propoxybenzene?
The canonical SMILES for 1,5-dichloro-3-ethoxy-2-propoxybenzene is CCCOc1c(Cl)cc(Cl)cc1OCC.
What is the InChIKey of 1,5-dichloro-3-ethoxy-2-propoxybenzene?
The InChIKey is UGJPCORUEHMDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-3-5-15-11-9(13)6-8(12)7-10(11)14-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,5-dichloro-3-ethoxy-2-propoxybenzene?
1,5-dichloro-3-ethoxy-2-propoxybenzene has a molecular weight of 249.14 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-ethoxy-2-propoxybenzene is sourced from PubChem (CID 125116590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).