1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane

C13H19Cl — CID 163302600

IUPAC1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
SMILESC=C(C)c1c(C)cccc1Cl.CCC
InChIInChI=1S/C10H11Cl.C3H8/c1-7(2)10-8(3)5-4-6-9(10)11;1-3-2/h4-6H,1H2,2-3H3;3H2,1-2H3
InChIKeyLTKNTNZXNMXFGR-UHFFFAOYSA-N
MW210.75 g/mol
LogP5.10
Rot. Bonds1

About 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane

1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane (PubChem CID 163302600) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane.

Molecular Properties

Compound Name1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
PubChem CID163302600
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
SMILESC=C(C)c1c(C)cccc1Cl.CCC
InChIInChI=1S/C10H11Cl.C3H8/c1-7(2)10-8(3)5-4-6-9(10)11;1-3-2/h4-6H,1H2,2-3H3;3H2,1-2H3
InChIKeyLTKNTNZXNMXFGR-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.75
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
CID 143310954
1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
CID 144517802
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
CID 155108241
(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
CID 162333349
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
N-[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide;ethane;propane
CID 170607588
1-chloro-3-methyl-2-methylsulfanylbenzene;propane
CID 144523197
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004
1-(2,6-dimethylphenyl)ethenamine
CID 70299963

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane?
The IUPAC name of 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane (CID 163302600) is 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane.
What is the SMILES notation for 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane?
The canonical SMILES for 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane is C=C(C)c1c(C)cccc1Cl.CCC.
What is the InChIKey of 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane?
The InChIKey is LTKNTNZXNMXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl.C3H8/c1-7(2)10-8(3)5-4-6-9(10)11;1-3-2/h4-6H,1H2,2-3H3;3H2,1-2H3.
What are the key properties of 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane?
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane has a molecular weight of 210.75 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane is sourced from PubChem (CID 163302600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).