1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene

C12H15Cl3O — CID 83941177

IUPAC1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CCCl
InChIInChI=1S/C12H15Cl3O/c1-3-16-12-10(8(2)4-5-13)6-9(14)7-11(12)15/h6-8H,3-5H2,1-2H3
InChIKeyKADUSQBURAAHLP-UHFFFAOYSA-N
MW281.61 g/mol
LogP5.12
Rot. Bonds5

About 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene

1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene (PubChem CID 83941177) has the molecular formula C12H15Cl3O and a molecular weight of 281.61 g/mol. Its IUPAC name is 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
PubChem CID83941177
Molecular FormulaC12H15Cl3O
Molecular Weight281.61 g/mol
Exact Mass280.02
IUPAC Name1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CCCl
InChIInChI=1S/C12H15Cl3O/c1-3-16-12-10(8(2)4-5-13)6-9(14)7-11(12)15/h6-8H,3-5H2,1-2H3
InChIKeyKADUSQBURAAHLP-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.61
LogP ≤ 55.12
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

5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
CID 83941281
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
CID 83938867
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentanenitrile
CID 83938868
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
6-(3,5-dichloro-2-ethoxyphenyl)octan-3-one
CID 83941200
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83941206
2-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-3-ethyloxirane
CID 83941372
3-chloro-1-(3,5-dichloro-2-ethoxyphenyl)propan-1-one
CID 82267037

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene?
The IUPAC name of 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene (CID 83941177) is 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene.
What is the SMILES notation for 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene?
The canonical SMILES for 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene is CCOc1c(Cl)cc(Cl)cc1C(C)CCCl.
What is the InChIKey of 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene?
The InChIKey is KADUSQBURAAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3O/c1-3-16-12-10(8(2)4-5-13)6-9(14)7-11(12)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene?
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene has a molecular weight of 281.61 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene is sourced from PubChem (CID 83941177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).