1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene

C18H18Cl4 — CID 19736782

IUPAC1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene
SMILESCCCCC(C)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl4/c1-3-4-5-18(2,12-6-14(19)10-15(20)7-12)13-8-16(21)11-17(22)9-13/h6-11H,3-5H2,1-2H3
InChIKeyNYDXXAFFAXTCMD-UHFFFAOYSA-N
MW376.15 g/mol
LogP7.80
Rot. Bonds5

About 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene

1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene (PubChem CID 19736782) has the molecular formula C18H18Cl4 and a molecular weight of 376.15 g/mol. Its IUPAC name is 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene
PubChem CID19736782
Molecular FormulaC18H18Cl4
Molecular Weight376.15 g/mol
Exact Mass374.02
IUPAC Name1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene
SMILESCCCCC(C)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl4/c1-3-4-5-18(2,12-6-14(19)10-15(20)7-12)13-8-16(21)11-17(22)9-13/h6-11H,3-5H2,1-2H3
InChIKeyNYDXXAFFAXTCMD-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.15
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3',5-Trichlorobiphenyl
CID 38037
3,3',5,5'-Tetrachlorobiphenyl
CID 36400
3,3',4,4',5,5'-Hexachlorobiphenyl
CID 36231
3-Chlorobiphenyl
CID 16322
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
3,3'-Dichlorobiphenyl
CID 16307
2,6-Dichlorobiphenyl
CID 36342
3,5-Dichlorobiphenyl
CID 36981
3,3',4,5,5'-Pentachlorobiphenyl
CID 63085
3,4'-Dichlorobiphenyl
CID 18101
2,3'-Dichlorobiphenyl
CID 33100
2,2',4,4',6,6'-Hexachlorobiphenyl
CID 36647

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene?
The IUPAC name of 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene (CID 19736782) is 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene is CCCCC(C)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene?
The InChIKey is NYDXXAFFAXTCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl4/c1-3-4-5-18(2,12-6-14(19)10-15(20)7-12)13-8-16(21)11-17(22)9-13/h6-11H,3-5H2,1-2H3.
What are the key properties of 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene?
1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene has a molecular weight of 376.15 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[2-(3,5-dichlorophenyl)hexan-2-yl]benzene is sourced from PubChem (CID 19736782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).