1,2-dichloro-4-(2-methylheptan-4-yl)benzene

C14H20Cl2 — CID 67949273

IUPAC1,2-dichloro-4-(2-methylheptan-4-yl)benzene
SMILESCCCC(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2/c1-4-5-11(8-10(2)3)12-6-7-13(15)14(16)9-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyDGTYUUQZICHZLH-UHFFFAOYSA-N
MW259.22 g/mol
LogP5.92
Rot. Bonds5

About 1,2-dichloro-4-(2-methylheptan-4-yl)benzene

1,2-dichloro-4-(2-methylheptan-4-yl)benzene (PubChem CID 67949273) has the molecular formula C14H20Cl2 and a molecular weight of 259.22 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-methylheptan-4-yl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-methylheptan-4-yl)benzene
PubChem CID67949273
Molecular FormulaC14H20Cl2
Molecular Weight259.22 g/mol
Exact Mass258.09
IUPAC Name1,2-dichloro-4-(2-methylheptan-4-yl)benzene
SMILESCCCC(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2/c1-4-5-11(8-10(2)3)12-6-7-13(15)14(16)9-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyDGTYUUQZICHZLH-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.22
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-(3-chlorohexan-2-yl)benzene
CID 83051567
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
CID 87727172
CID 87727172
5-heptan-4-yl-2-(4-heptan-4-yl-2-hydroxyphenyl)phenol
CID 66659268
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-methylheptan-4-yl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-methylheptan-4-yl)benzene (CID 67949273) is 1,2-dichloro-4-(2-methylheptan-4-yl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-methylheptan-4-yl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-methylheptan-4-yl)benzene is CCCC(CC(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2-methylheptan-4-yl)benzene?
The InChIKey is DGTYUUQZICHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2/c1-4-5-11(8-10(2)3)12-6-7-13(15)14(16)9-12/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 1,2-dichloro-4-(2-methylheptan-4-yl)benzene?
1,2-dichloro-4-(2-methylheptan-4-yl)benzene has a molecular weight of 259.22 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-methylheptan-4-yl)benzene is sourced from PubChem (CID 67949273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).