2-chloro-1-methyl-3-prop-1-enylbenzene

C10H11Cl — CID 123915318

IUPAC2-chloro-1-methyl-3-prop-1-enylbenzene
SMILESCC=Cc1cccc(C)c1Cl
InChIInChI=1S/C10H11Cl/c1-3-5-9-7-4-6-8(2)10(9)11/h3-7H,1-2H3
InChIKeyQHEIMEIZTZXKAB-UHFFFAOYSA-N
MW166.65 g/mol
LogP3.68
Rot. Bonds1

About 2-chloro-1-methyl-3-prop-1-enylbenzene

2-chloro-1-methyl-3-prop-1-enylbenzene (PubChem CID 123915318) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-prop-1-enylbenzene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-prop-1-enylbenzene
PubChem CID123915318
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name2-chloro-1-methyl-3-prop-1-enylbenzene
SMILESCC=Cc1cccc(C)c1Cl
InChIInChI=1S/C10H11Cl/c1-3-5-9-7-4-6-8(2)10(9)11/h3-7H,1-2H3
InChIKeyQHEIMEIZTZXKAB-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-prop-1-enylbenzene?
The IUPAC name of 2-chloro-1-methyl-3-prop-1-enylbenzene (CID 123915318) is 2-chloro-1-methyl-3-prop-1-enylbenzene.
What is the SMILES notation for 2-chloro-1-methyl-3-prop-1-enylbenzene?
The canonical SMILES for 2-chloro-1-methyl-3-prop-1-enylbenzene is CC=Cc1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-prop-1-enylbenzene?
The InChIKey is QHEIMEIZTZXKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-5-9-7-4-6-8(2)10(9)11/h3-7H,1-2H3.
What are the key properties of 2-chloro-1-methyl-3-prop-1-enylbenzene?
2-chloro-1-methyl-3-prop-1-enylbenzene has a molecular weight of 166.65 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-prop-1-enylbenzene is sourced from PubChem (CID 123915318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).