1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene

C16H24Cl2 — CID 79431985

IUPAC1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
SMILESCCCCC(CC)CC(CCl)c1cccc(Cl)c1
InChIInChI=1S/C16H24Cl2/c1-3-5-7-13(4-2)10-15(12-17)14-8-6-9-16(18)11-14/h6,8-9,11,13,15H,3-5,7,10,12H2,1-2H3
InChIKeyLDXRCQTWVUSCNR-UHFFFAOYSA-N
MW287.27 g/mol
LogP6.27
Rot. Bonds8

About 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene

1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene (PubChem CID 79431985) has the molecular formula C16H24Cl2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
PubChem CID79431985
Molecular FormulaC16H24Cl2
Molecular Weight287.27 g/mol
Exact Mass286.13
IUPAC Name1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
SMILESCCCCC(CC)CC(CCl)c1cccc(Cl)c1
InChIInChI=1S/C16H24Cl2/c1-3-5-7-13(4-2)10-15(12-17)14-8-6-9-16(18)11-14/h6,8-9,11,13,15H,3-5,7,10,12H2,1-2H3
InChIKeyLDXRCQTWVUSCNR-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.27
LogP ≤ 56.27
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

2-(3-chlorophenyl)-4-ethyloctan-1-ol
CID 79442705
2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
5-ethyl-3-phenylnonan-1-ol
CID 145204155
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
5-(3-chlorophenyl)nonane-3,7-diamine
CID 170889684
2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79441273
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(3-chlorophenyl)decan-1-amine
CID 63412045
2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79432496
1-chloro-4-[2-(chloromethyl)-4-ethyloctyl]benzene
CID 66035269

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene?
The IUPAC name of 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene (CID 79431985) is 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene.
What is the SMILES notation for 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene?
The canonical SMILES for 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene is CCCCC(CC)CC(CCl)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene?
The InChIKey is LDXRCQTWVUSCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2/c1-3-5-7-13(4-2)10-15(12-17)14-8-6-9-16(18)11-14/h6,8-9,11,13,15H,3-5,7,10,12H2,1-2H3.
What are the key properties of 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene?
1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene has a molecular weight of 287.27 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene is sourced from PubChem (CID 79431985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).