2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene

C12H15Cl3O — CID 70463022

IUPAC2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
SMILESCCCCC(CCl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3O/c1-2-3-4-10(8-13)16-12-6-5-9(14)7-11(12)15/h5-7,10H,2-4,8H2,1H3
InChIKeyISLHUEVWRWBBHY-UHFFFAOYSA-N
MW281.61 g/mol
LogP5.17
Rot. Bonds6

About 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene

2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene (PubChem CID 70463022) has the molecular formula C12H15Cl3O and a molecular weight of 281.61 g/mol. Its IUPAC name is 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
PubChem CID70463022
Molecular FormulaC12H15Cl3O
Molecular Weight281.61 g/mol
Exact Mass280.02
IUPAC Name2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
SMILESCCCCC(CCl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3O/c1-2-3-4-10(8-13)16-12-6-5-9(14)7-11(12)15/h5-7,10H,2-4,8H2,1H3
InChIKeyISLHUEVWRWBBHY-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
CID 69456701
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
3-(2,4-dichlorophenoxy)pentane-1-sulfonic acid
CID 88683157
4-(2,4-dichlorophenoxy)pentan-1-amine
CID 62461001
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
CID 4155805
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
2-butoxyethyl (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 76970477
4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
CID 54799235

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene?
The IUPAC name of 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene (CID 70463022) is 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene is CCCCC(CCl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene?
The InChIKey is ISLHUEVWRWBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3O/c1-2-3-4-10(8-13)16-12-6-5-9(14)7-11(12)15/h5-7,10H,2-4,8H2,1H3.
What are the key properties of 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene?
2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene has a molecular weight of 281.61 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene is sourced from PubChem (CID 70463022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).