2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane

C19H33Cl — CID 177363709

IUPAC2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane
SMILESCC.CCCC(C)CCCCCc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H27Cl.C2H6/c1-4-8-14(2)9-6-5-7-10-16-12-11-15(3)17(18)13-16;1-2/h11-14H,4-10H2,1-3H3;1-2H3
InChIKeyDTUFSVCUOWGYHN-UHFFFAOYSA-N
MW296.93 g/mol
LogP7.21
Rot. Bonds8

About 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane

2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane (PubChem CID 177363709) has the molecular formula C19H33Cl and a molecular weight of 296.93 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane.

Molecular Properties

Compound Name2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane
PubChem CID177363709
Molecular FormulaC19H33Cl
Molecular Weight296.93 g/mol
Exact Mass296.23
IUPAC Name2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane
SMILESCC.CCCC(C)CCCCCc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H27Cl.C2H6/c1-4-8-14(2)9-6-5-7-10-16-12-11-15(3)17(18)13-16;1-2/h11-14H,4-10H2,1-3H3;1-2H3
InChIKeyDTUFSVCUOWGYHN-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.93
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
1-(3-chloro-4-methylphenyl)hexan-3-ol
CID 107561010
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 106833862
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
1,2-dimethyl-4-octylbenzene
CID 14044616
1-methyl-4-(4-methylnonyl)benzene
CID 59776274
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane?
The IUPAC name of 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane (CID 177363709) is 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane.
What is the SMILES notation for 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane?
The canonical SMILES for 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane is CC.CCCC(C)CCCCCc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane?
The InChIKey is DTUFSVCUOWGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl.C2H6/c1-4-8-14(2)9-6-5-7-10-16-12-11-15(3)17(18)13-16;1-2/h11-14H,4-10H2,1-3H3;1-2H3.
What are the key properties of 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane?
2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane has a molecular weight of 296.93 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-4-(6-methylnonyl)benzene;ethane is sourced from PubChem (CID 177363709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).