chloromethylbenzene;prop-2-enylbenzene

C16H17Cl — CID 174528909

IUPACchloromethylbenzene;prop-2-enylbenzene
SMILESC=CCc1ccccc1.ClCc1ccccc1
InChIInChI=1S/C9H10.C7H7Cl/c1-2-6-9-7-4-3-5-8-9;8-6-7-4-2-1-3-5-7/h2-5,7-8H,1,6H2;1-5H,6H2
InChIKeySVUSEHAGFIMVJU-UHFFFAOYSA-N
MW244.76 g/mol
LogP4.84
Rot. Bonds3

About chloromethylbenzene;prop-2-enylbenzene

chloromethylbenzene;prop-2-enylbenzene (PubChem CID 174528909) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is chloromethylbenzene;prop-2-enylbenzene.

Molecular Properties

Compound Namechloromethylbenzene;prop-2-enylbenzene
PubChem CID174528909
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Namechloromethylbenzene;prop-2-enylbenzene
SMILESC=CCc1ccccc1.ClCc1ccccc1
InChIInChI=1S/C9H10.C7H7Cl/c1-2-6-9-7-4-3-5-8-9;8-6-7-4-2-1-3-5-7/h2-5,7-8H,1,6H2;1-5H,6H2
InChIKeySVUSEHAGFIMVJU-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.76
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
chloromethylbenzene;formaldehyde
CID 157080705
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
chloromethylbenzene;ethenoxyethene
CID 175176602
chloromethylbenzene;ruthenium
CID 161305198
CID 18435300
CID 18435300
chloromethylbenzene;methane
CID 174969037

Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;prop-2-enylbenzene?
The IUPAC name of chloromethylbenzene;prop-2-enylbenzene (CID 174528909) is chloromethylbenzene;prop-2-enylbenzene.
What is the SMILES notation for chloromethylbenzene;prop-2-enylbenzene?
The canonical SMILES for chloromethylbenzene;prop-2-enylbenzene is C=CCc1ccccc1.ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene;prop-2-enylbenzene?
The InChIKey is SVUSEHAGFIMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C7H7Cl/c1-2-6-9-7-4-3-5-8-9;8-6-7-4-2-1-3-5-7/h2-5,7-8H,1,6H2;1-5H,6H2.
What are the key properties of chloromethylbenzene;prop-2-enylbenzene?
chloromethylbenzene;prop-2-enylbenzene has a molecular weight of 244.76 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;prop-2-enylbenzene is sourced from PubChem (CID 174528909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).