2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene

C18H20Cl2O — CID 63499479

IUPAC2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
SMILESClCCCCCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C18H20Cl2O/c19-12-6-1-2-7-13-21-18-11-10-16(14-17(18)20)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKeyTWQDSFPCRJBDLF-UHFFFAOYSA-N
MW323.26 g/mol
LogP6.18
Rot. Bonds8

About 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene

2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene (PubChem CID 63499479) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene.

Molecular Properties

Compound Name2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
PubChem CID63499479
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene
SMILESClCCCCCCOc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C18H20Cl2O/c19-12-6-1-2-7-13-21-18-11-10-16(14-17(18)20)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKeyTWQDSFPCRJBDLF-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.26
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene 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

1-(3-azidopropoxy)-2-chloro-4-phenylbenzene
CID 63464160
5-(2-chloro-4-phenylphenoxy)pentan-2-one
CID 62029499
N-[2-(2-chloro-4-phenylphenoxy)ethyl]butan-1-amine
CID 63506720
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
CID 62571019
1-(3-chloropropoxy)-2-methoxy-4-phenylbenzene
CID 173335600
6-[2-chloro-4-(3,4-dichlorophenyl)phenoxy]hexanoic acid
CID 69049805
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-yn-1-amine
CID 62571020
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
2-chloro-1-(8-chlorooctoxy)-4-methyl-3-phenylbenzene
CID 21281221
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
3-[(2-chloro-4-phenylphenoxy)methyl]pentan-3-ol
CID 114495970
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene?
The IUPAC name of 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene (CID 63499479) is 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene.
What is the SMILES notation for 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene?
The canonical SMILES for 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene is ClCCCCCCOc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene?
The InChIKey is TWQDSFPCRJBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c19-12-6-1-2-7-13-21-18-11-10-16(14-17(18)20)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2.
What are the key properties of 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene?
2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene has a molecular weight of 323.26 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-chlorohexoxy)-4-phenylbenzene is sourced from PubChem (CID 63499479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).