2-chloro-4-ethyl-1-methylbenzene;ethane;methane

C12H21Cl — CID 142172309

IUPAC2-chloro-4-ethyl-1-methylbenzene;ethane;methane
SMILESC.CC.CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H11Cl.C2H6.CH4/c1-3-8-5-4-7(2)9(10)6-8;1-2;/h4-6H,3H2,1-2H3;1-2H3;1H4
InChIKeyZLFIQEOGMOLVBP-UHFFFAOYSA-N
MW200.75 g/mol
LogP4.87
Rot. Bonds1

About 2-chloro-4-ethyl-1-methylbenzene;ethane;methane

2-chloro-4-ethyl-1-methylbenzene;ethane;methane (PubChem CID 142172309) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-methylbenzene;ethane;methane.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-methylbenzene;ethane;methane
PubChem CID142172309
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name2-chloro-4-ethyl-1-methylbenzene;ethane;methane
SMILESC.CC.CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H11Cl.C2H6.CH4/c1-3-8-5-4-7(2)9(10)6-8;1-2;/h4-6H,3H2,1-2H3;1-2H3;1H4
InChIKeyZLFIQEOGMOLVBP-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
2-chloro-4-(ethylsulfonylmethyl)-1-methylbenzene
CID 167629819
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
(3-chloro-4-methylphenyl)methyl-trimethylazanium
CID 14177568
2-chloro-4-(2,2-dimethylbutyl)-1-methylbenzene
CID 70843231
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
(3-chloro-4-methylphenyl)methanesulfinate
CID 23171950
1,4-diethylbenzene;ethane;methane
CID 166131756
1,2-dichloro-4-propan-2-ylbenzene;ethane;4-ethyl-1,2-dimethylbenzene
CID 167518054
1-(3-chloro-4-methylphenyl)pentan-2-one
CID 159318556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-methylbenzene;ethane;methane?
The IUPAC name of 2-chloro-4-ethyl-1-methylbenzene;ethane;methane (CID 142172309) is 2-chloro-4-ethyl-1-methylbenzene;ethane;methane.
What is the SMILES notation for 2-chloro-4-ethyl-1-methylbenzene;ethane;methane?
The canonical SMILES for 2-chloro-4-ethyl-1-methylbenzene;ethane;methane is C.CC.CCc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethyl-1-methylbenzene;ethane;methane?
The InChIKey is ZLFIQEOGMOLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.C2H6.CH4/c1-3-8-5-4-7(2)9(10)6-8;1-2;/h4-6H,3H2,1-2H3;1-2H3;1H4.
What are the key properties of 2-chloro-4-ethyl-1-methylbenzene;ethane;methane?
2-chloro-4-ethyl-1-methylbenzene;ethane;methane has a molecular weight of 200.75 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-methylbenzene;ethane;methane is sourced from PubChem (CID 142172309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).