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

C20H24Cl2O — CID 126760257

IUPAC2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
SMILESCCC(CC)c1ccc(Cl)cc1-c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C20H24Cl2O/c1-5-14(6-2)17-9-8-16(21)12-18(17)15-7-10-20(19(22)11-15)23-13(3)4/h7-14H,5-6H2,1-4H3
InChIKeyJQEDNETXOUOCHG-UHFFFAOYSA-N
MW351.32 g/mol
LogP7.35
Rot. Bonds6

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

2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene (PubChem CID 126760257) has the molecular formula C20H24Cl2O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
PubChem CID126760257
Molecular FormulaC20H24Cl2O
Molecular Weight351.32 g/mol
Exact Mass350.12
IUPAC Name2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene
SMILESCCC(CC)c1ccc(Cl)cc1-c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C20H24Cl2O/c1-5-14(6-2)17-9-8-16(21)12-18(17)15-7-10-20(19(22)11-15)23-13(3)4/h7-14H,5-6H2,1-4H3
InChIKeyJQEDNETXOUOCHG-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.32
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-(5-chloro-2-hexan-3-ylphenyl)-1-propan-2-yloxybenzene
CID 134401016
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
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
3-(5-chloro-2-pentan-3-ylphenyl)benzoic acid
CID 134401341
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene?
The IUPAC name of 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene (CID 126760257) is 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene?
The canonical SMILES for 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene is CCC(CC)c1ccc(Cl)cc1-c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene?
The InChIKey is JQEDNETXOUOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2O/c1-5-14(6-2)17-9-8-16(21)12-18(17)15-7-10-20(19(22)11-15)23-13(3)4/h7-14H,5-6H2,1-4H3.
What are the key properties of 2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene?
2-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-1-propan-2-yloxybenzene has a molecular weight of 351.32 g/mol, XLogP of 7.35, 6 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-pentan-3-ylphenyl)-1-propan-2-yloxybenzene is sourced from PubChem (CID 126760257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).