[(E)-3-chloroprop-1-enyl]benzene;hydron

C9H10Cl+ — CID 174539817

IUPAC[(E)-3-chloroprop-1-enyl]benzene;hydron
SMILESClC/C=C/c1ccccc1.[H+]
InChIInChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/p+1/b7-4+
InChIKeyIWTYTFSSTWXZFU-QPJJXVBHSA-O
MW153.63 g/mol
LogP3.05
Rot. Bonds2

About [(E)-3-chloroprop-1-enyl]benzene;hydron

[(E)-3-chloroprop-1-enyl]benzene;hydron (PubChem CID 174539817) has the molecular formula C9H10Cl+ and a molecular weight of 153.63 g/mol. Its IUPAC name is [(E)-3-chloroprop-1-enyl]benzene;hydron.

Molecular Properties

Compound Name[(E)-3-chloroprop-1-enyl]benzene;hydron
PubChem CID174539817
Molecular FormulaC9H10Cl+
Molecular Weight153.63 g/mol
Exact Mass153.05
IUPAC Name[(E)-3-chloroprop-1-enyl]benzene;hydron
SMILESClC/C=C/c1ccccc1.[H+]
InChIInChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/p+1/b7-4+
InChIKeyIWTYTFSSTWXZFU-QPJJXVBHSA-O
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-3-chloroprop-1-enyl]benzene;hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[(E)-3-chloroprop-1-enyl]benzene
CID 125465400
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
4-[(E)-3-chloroprop-1-enyl]pyridine
CID 19985704
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
4-(3-chloroprop-1-enyl)benzoic acid
CID 169477180
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767
chloro(3-phenylprop-2-enyl)silane
CID 154264872
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
[4-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052
4-chloropent-1-enylbenzene
CID 66808272
2-[4-(3-chloroprop-1-enyl)phenyl]pyridine
CID 169478068

Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-1-enyl]benzene;hydron?
The IUPAC name of [(E)-3-chloroprop-1-enyl]benzene;hydron (CID 174539817) is [(E)-3-chloroprop-1-enyl]benzene;hydron.
What is the SMILES notation for [(E)-3-chloroprop-1-enyl]benzene;hydron?
The canonical SMILES for [(E)-3-chloroprop-1-enyl]benzene;hydron is ClC/C=C/c1ccccc1.[H+].
What is the InChIKey of [(E)-3-chloroprop-1-enyl]benzene;hydron?
The InChIKey is IWTYTFSSTWXZFU-QPJJXVBHSA-O. The full InChI is InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/p+1/b7-4+.
What are the key properties of [(E)-3-chloroprop-1-enyl]benzene;hydron?
[(E)-3-chloroprop-1-enyl]benzene;hydron has a molecular weight of 153.63 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloroprop-1-enyl]benzene;hydron is sourced from PubChem (CID 174539817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).