1-(chloromethyl)-4-ethenyl-2-methylbenzene

C10H11Cl — CID 19883805

IUPAC1-(chloromethyl)-4-ethenyl-2-methylbenzene
SMILESC=Cc1ccc(CCl)c(C)c1
InChIInChI=1S/C10H11Cl/c1-3-9-4-5-10(7-11)8(2)6-9/h3-6H,1,7H2,2H3
InChIKeyHYMHFMNSWRMERV-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.38
Rot. Bonds2

About 1-(chloromethyl)-4-ethenyl-2-methylbenzene

1-(chloromethyl)-4-ethenyl-2-methylbenzene (PubChem CID 19883805) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-(chloromethyl)-4-ethenyl-2-methylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-ethenyl-2-methylbenzene
PubChem CID19883805
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-(chloromethyl)-4-ethenyl-2-methylbenzene
SMILESC=Cc1ccc(CCl)c(C)c1
InChIInChI=1S/C10H11Cl/c1-3-9-4-5-10(7-11)8(2)6-9/h3-6H,1,7H2,2H3
InChIKeyHYMHFMNSWRMERV-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-ethenyl-2-ethylbenzene
CID 19883810
2-(chloromethyl)-4-ethenyl-1-ethylbenzene
CID 19883815
1-(chloromethyl)-4-ethenyl-2-ethoxybenzene
CID 89427722
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
1-chloro-2-(chloromethyl)-6-ethenylnaphthalene
CID 66808425
1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
2-(5-ethenyl-2-methylphenyl)ethanamine
CID 130050820
1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
CID 21201014
azane;1-(chloromethyl)-3,4-dimethyl-2-prop-2-enylbenzene
CID 68825933
(2-chloro-4-ethenylphenyl)methanol
CID 54017504
2-(4-ethenyl-2-methylphenyl)propan-2-amine
CID 87184185

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-ethenyl-2-methylbenzene?
The IUPAC name of 1-(chloromethyl)-4-ethenyl-2-methylbenzene (CID 19883805) is 1-(chloromethyl)-4-ethenyl-2-methylbenzene.
What is the SMILES notation for 1-(chloromethyl)-4-ethenyl-2-methylbenzene?
The canonical SMILES for 1-(chloromethyl)-4-ethenyl-2-methylbenzene is C=Cc1ccc(CCl)c(C)c1.
What is the InChIKey of 1-(chloromethyl)-4-ethenyl-2-methylbenzene?
The InChIKey is HYMHFMNSWRMERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-9-4-5-10(7-11)8(2)6-9/h3-6H,1,7H2,2H3.
What are the key properties of 1-(chloromethyl)-4-ethenyl-2-methylbenzene?
1-(chloromethyl)-4-ethenyl-2-methylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-ethenyl-2-methylbenzene is sourced from PubChem (CID 19883805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).