4-chloro-1-(3-chloropropyl)-2-ethoxybenzene

C11H14Cl2O — CID 118836148

IUPAC4-chloro-1-(3-chloropropyl)-2-ethoxybenzene
SMILESCCOc1cc(Cl)ccc1CCCCl
InChIInChI=1S/C11H14Cl2O/c1-2-14-11-8-10(13)6-5-9(11)4-3-7-12/h5-6,8H,2-4,7H2,1H3
InChIKeyNKOVVIYOXRXRIO-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.91
Rot. Bonds5

About 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene

4-chloro-1-(3-chloropropyl)-2-ethoxybenzene (PubChem CID 118836148) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene.

Molecular Properties

Compound Name4-chloro-1-(3-chloropropyl)-2-ethoxybenzene
PubChem CID118836148
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name4-chloro-1-(3-chloropropyl)-2-ethoxybenzene
SMILESCCOc1cc(Cl)ccc1CCCCl
InChIInChI=1S/C11H14Cl2O/c1-2-14-11-8-10(13)6-5-9(11)4-3-7-12/h5-6,8H,2-4,7H2,1H3
InChIKeyNKOVVIYOXRXRIO-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.91
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

CID 68632303
CID 68632303
4-chloro-2-(3-chloropropyl)-1-methylbenzene
CID 118805729
4-chloro-2-ethoxy-1-isocyanobenzene
CID 123227170
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
1-(3-chloropropyl)-3-ethoxy-2-ethylbenzene
CID 118802073
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
5-chloro-2-ethoxybenzenethiol
CID 91656523
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
4-chloro-2-ethoxybenzonitrile
CID 22721189
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide
CID 75387694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene?
The IUPAC name of 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene (CID 118836148) is 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene.
What is the SMILES notation for 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene?
The canonical SMILES for 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene is CCOc1cc(Cl)ccc1CCCCl.
What is the InChIKey of 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene?
The InChIKey is NKOVVIYOXRXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-2-14-11-8-10(13)6-5-9(11)4-3-7-12/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene?
4-chloro-1-(3-chloropropyl)-2-ethoxybenzene has a molecular weight of 233.14 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chloropropyl)-2-ethoxybenzene is sourced from PubChem (CID 118836148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).