1-chloro-4-(5-chloropentan-2-yl)benzene

C11H14Cl2 — CID 154098348

IUPAC1-chloro-4-(5-chloropentan-2-yl)benzene
SMILESCC(CCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2/c1-9(3-2-8-12)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3
InChIKeyJZVHMIFJAWBZNL-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.46
Rot. Bonds4

About 1-chloro-4-(5-chloropentan-2-yl)benzene

1-chloro-4-(5-chloropentan-2-yl)benzene (PubChem CID 154098348) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-chloro-4-(5-chloropentan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(5-chloropentan-2-yl)benzene
PubChem CID154098348
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1-chloro-4-(5-chloropentan-2-yl)benzene
SMILESCC(CCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2/c1-9(3-2-8-12)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3
InChIKeyJZVHMIFJAWBZNL-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-chloropentan-2-ylbenzene
CID 524354
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
4-(4-chlorophenyl)pentanoyl chloride
CID 15332553
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
4-chlorobutan-2-ylbenzene
CID 570466
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane
CID 132991778
3-(4-chlorophenyl)butanethial
CID 58279670
1-chloro-4-hex-4-yn-2-ylbenzene
CID 83931166
4-(4-chlorophenyl)-N-methylpentan-2-amine
CID 64719416
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-[(1S)-1-bromo-3-chloropropyl]-4-chlorobenzene
CID 99639334

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(5-chloropentan-2-yl)benzene?
The IUPAC name of 1-chloro-4-(5-chloropentan-2-yl)benzene (CID 154098348) is 1-chloro-4-(5-chloropentan-2-yl)benzene.
What is the SMILES notation for 1-chloro-4-(5-chloropentan-2-yl)benzene?
The canonical SMILES for 1-chloro-4-(5-chloropentan-2-yl)benzene is CC(CCCCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(5-chloropentan-2-yl)benzene?
The InChIKey is JZVHMIFJAWBZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-9(3-2-8-12)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-chloro-4-(5-chloropentan-2-yl)benzene?
1-chloro-4-(5-chloropentan-2-yl)benzene has a molecular weight of 217.14 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(5-chloropentan-2-yl)benzene is sourced from PubChem (CID 154098348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).