1-chloro-2-ethenyl-4-methylbenzene

C9H9Cl — CID 19377357

IUPAC1-chloro-2-ethenyl-4-methylbenzene
SMILESC=Cc1cc(C)ccc1Cl
InChIInChI=1S/C9H9Cl/c1-3-8-6-7(2)4-5-9(8)10/h3-6H,1H2,2H3
InChIKeyNODKJILUZSXDGT-UHFFFAOYSA-N
MW152.62 g/mol
LogP3.29
Rot. Bonds1

About 1-chloro-2-ethenyl-4-methylbenzene

1-chloro-2-ethenyl-4-methylbenzene (PubChem CID 19377357) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-4-methylbenzene
PubChem CID19377357
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name1-chloro-2-ethenyl-4-methylbenzene
SMILESC=Cc1cc(C)ccc1Cl
InChIInChI=1S/C9H9Cl/c1-3-8-6-7(2)4-5-9(8)10/h3-6H,1H2,2H3
InChIKeyNODKJILUZSXDGT-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
1-ethenyl-2,4-dimethylbenzene
CID 157285903
1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
(E)-3-(2-chloro-5-methylphenyl)prop-2-enoic acid
CID 21495548
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
1-ethenyl-2-iodo-4-methylbenzene
CID 139713418
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
1,2-dichloro-4-methylbenzene;N,N-dimethylethenamine;propane
CID 161023887
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
azane;2-ethenyl-4-methylbenzenesulfonic acid
CID 173319527

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-4-methylbenzene?
The IUPAC name of 1-chloro-2-ethenyl-4-methylbenzene (CID 19377357) is 1-chloro-2-ethenyl-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-ethenyl-4-methylbenzene?
The canonical SMILES for 1-chloro-2-ethenyl-4-methylbenzene is C=Cc1cc(C)ccc1Cl.
What is the InChIKey of 1-chloro-2-ethenyl-4-methylbenzene?
The InChIKey is NODKJILUZSXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c1-3-8-6-7(2)4-5-9(8)10/h3-6H,1H2,2H3.
What are the key properties of 1-chloro-2-ethenyl-4-methylbenzene?
1-chloro-2-ethenyl-4-methylbenzene has a molecular weight of 152.62 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-4-methylbenzene is sourced from PubChem (CID 19377357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).