2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene

C21H26Cl2O — CID 134401016

IUPAC2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene
SMILESCCCC(CC)c1ccc(Cl)cc1-c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C21H26Cl2O/c1-5-7-15(6-2)18-10-9-17(22)13-19(18)16-8-11-21(20(23)12-16)24-14(3)4/h8-15H,5-7H2,1-4H3
InChIKeyISWNALHMMMSYJM-UHFFFAOYSA-N
MW365.34 g/mol
LogP7.74
Rot. Bonds7

About 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene

2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene (PubChem CID 134401016) has the molecular formula C21H26Cl2O and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene
PubChem CID134401016
Molecular FormulaC21H26Cl2O
Molecular Weight365.34 g/mol
Exact Mass364.14
IUPAC Name2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene
SMILESCCCC(CC)c1ccc(Cl)cc1-c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C21H26Cl2O/c1-5-7-15(6-2)18-10-9-17(22)13-19(18)16-8-11-21(20(23)12-16)24-14(3)4/h8-15H,5-7H2,1-4H3
InChIKeyISWNALHMMMSYJM-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.34
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene 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

2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
CID 126760257
1-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-2-fluorobenzene
CID 126760329
4-chloro-2-[3-methyl-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylbenzene
CID 126760648
1-chloro-3-(2-hexan-3-ylphenyl)benzene
CID 134401046
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene?
The IUPAC name of 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene (CID 134401016) is 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene?
The canonical SMILES for 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene is CCCC(CC)c1ccc(Cl)cc1-c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene?
The InChIKey is ISWNALHMMMSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2O/c1-5-7-15(6-2)18-10-9-17(22)13-19(18)16-8-11-21(20(23)12-16)24-14(3)4/h8-15H,5-7H2,1-4H3.
What are the key properties of 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene?
2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene has a molecular weight of 365.34 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene is sourced from PubChem (CID 134401016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).