2,4-dichloro-1-pentan-3-ylbenzene

C11H14Cl2 — CID 18711414

IUPAC2,4-dichloro-1-pentan-3-ylbenzene
SMILESCCC(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2/c1-3-8(4-2)10-6-5-9(12)7-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyAWWZUMZEAHSLDQ-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.90
Rot. Bonds3

About 2,4-dichloro-1-pentan-3-ylbenzene

2,4-dichloro-1-pentan-3-ylbenzene (PubChem CID 18711414) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 2,4-dichloro-1-pentan-3-ylbenzene.

Molecular Properties

Compound Name2,4-dichloro-1-pentan-3-ylbenzene
PubChem CID18711414
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name2,4-dichloro-1-pentan-3-ylbenzene
SMILESCCC(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2/c1-3-8(4-2)10-6-5-9(12)7-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyAWWZUMZEAHSLDQ-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
4-chloro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382696
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
1-chloro-4-(5-chloro-2-pentan-3-ylphenyl)-2-fluorobenzene
CID 126760329
2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
CID 79446296
3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863
1-(3-chloro-4-pentan-3-ylphenyl)propan-2-one
CID 115006083
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-pentan-3-ylbenzene?
The IUPAC name of 2,4-dichloro-1-pentan-3-ylbenzene (CID 18711414) is 2,4-dichloro-1-pentan-3-ylbenzene.
What is the SMILES notation for 2,4-dichloro-1-pentan-3-ylbenzene?
The canonical SMILES for 2,4-dichloro-1-pentan-3-ylbenzene is CCC(CC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-pentan-3-ylbenzene?
The InChIKey is AWWZUMZEAHSLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-3-8(4-2)10-6-5-9(12)7-11(10)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-1-pentan-3-ylbenzene?
2,4-dichloro-1-pentan-3-ylbenzene has a molecular weight of 217.14 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-pentan-3-ylbenzene is sourced from PubChem (CID 18711414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).