1-chloro-2-prop-1-en-2-ylbenzene

C9H9Cl — CID 10968208

IUPAC1-chloro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1Cl
InChIInChI=1S/C9H9Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1H2,2H3
InChIKeyAAVXAQDZDGZZAO-UHFFFAOYSA-N
MW152.62 g/mol
LogP3.37
Rot. Bonds1

About 1-chloro-2-prop-1-en-2-ylbenzene

1-chloro-2-prop-1-en-2-ylbenzene (PubChem CID 10968208) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 1-chloro-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-prop-1-en-2-ylbenzene
PubChem CID10968208
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name1-chloro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1Cl
InChIInChI=1S/C9H9Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1H2,2H3
InChIKeyAAVXAQDZDGZZAO-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-chloro-2-prop-1-en-2-ylbenzene (CID 10968208) is 1-chloro-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-chloro-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-prop-1-en-2-ylbenzene?
The InChIKey is AAVXAQDZDGZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1H2,2H3.
What are the key properties of 1-chloro-2-prop-1-en-2-ylbenzene?
1-chloro-2-prop-1-en-2-ylbenzene has a molecular weight of 152.62 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 10968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).