prop-2-enylbenzene;styrene;hydrochloride

C17H19Cl — CID 174946140

IUPACprop-2-enylbenzene;styrene;hydrochloride
SMILESC=CCc1ccccc1.C=Cc1ccccc1.Cl
InChIInChI=1S/C9H10.C8H8.ClH/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;/h2-5,7-8H,1,6H2;2-7H,1H2;1H
InChIKeySKQQLPMVKXISTI-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.17
Rot. Bonds3

About prop-2-enylbenzene;styrene;hydrochloride

prop-2-enylbenzene;styrene;hydrochloride (PubChem CID 174946140) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is prop-2-enylbenzene;styrene;hydrochloride.

Molecular Properties

Compound Nameprop-2-enylbenzene;styrene;hydrochloride
PubChem CID174946140
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Nameprop-2-enylbenzene;styrene;hydrochloride
SMILESC=CCc1ccccc1.C=Cc1ccccc1.Cl
InChIInChI=1S/C9H10.C8H8.ClH/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;/h2-5,7-8H,1,6H2;2-7H,1H2;1H
InChIKeySKQQLPMVKXISTI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene;dihydrochloride
CID 174768742
prop-2-enylbenzene
CID 159998516
1-bromo-4-ethenylbenzene;prop-2-enylbenzene
CID 162084429
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
ethane;ethenylcyclohexane;prop-2-enylbenzene;styrene
CID 164544485
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
chloromethylbenzene;prop-2-enylbenzene
CID 174528909
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570

Frequently Asked Questions

What is the IUPAC name of prop-2-enylbenzene;styrene;hydrochloride?
The IUPAC name of prop-2-enylbenzene;styrene;hydrochloride (CID 174946140) is prop-2-enylbenzene;styrene;hydrochloride.
What is the SMILES notation for prop-2-enylbenzene;styrene;hydrochloride?
The canonical SMILES for prop-2-enylbenzene;styrene;hydrochloride is C=CCc1ccccc1.C=Cc1ccccc1.Cl.
What is the InChIKey of prop-2-enylbenzene;styrene;hydrochloride?
The InChIKey is SKQQLPMVKXISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H8.ClH/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8;/h2-5,7-8H,1,6H2;2-7H,1H2;1H.
What are the key properties of prop-2-enylbenzene;styrene;hydrochloride?
prop-2-enylbenzene;styrene;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylbenzene;styrene;hydrochloride is sourced from PubChem (CID 174946140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).