1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene

C13H17ClO — CID 79593117

IUPAC1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
SMILESCCOc1ccccc1C(C)=CCCCl
InChIInChI=1S/C13H17ClO/c1-3-15-13-9-5-4-8-12(13)11(2)7-6-10-14/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyBZAFKPBJQXUXCB-UHFFFAOYSA-N
MW224.73 g/mol
LogP4.12
Rot. Bonds5

About 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene

1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene (PubChem CID 79593117) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
PubChem CID79593117
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene
SMILESCCOc1ccccc1C(C)=CCCCl
InChIInChI=1S/C13H17ClO/c1-3-15-13-9-5-4-8-12(13)11(2)7-6-10-14/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyBZAFKPBJQXUXCB-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene 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-[(E)-5-chloropent-2-en-2-yl]-2-(2-methoxyethoxy)benzene
CID 104663300
1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
(E)-N-(2-methoxyethyl)-4-(2-propoxyphenyl)pent-3-en-1-amine
CID 104663334
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene?
The IUPAC name of 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene (CID 79593117) is 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene.
What is the SMILES notation for 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene?
The canonical SMILES for 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene is CCOc1ccccc1C(C)=CCCCl.
What is the InChIKey of 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene?
The InChIKey is BZAFKPBJQXUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-3-15-13-9-5-4-8-12(13)11(2)7-6-10-14/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene?
1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene has a molecular weight of 224.73 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropent-2-en-2-yl)-2-ethoxybenzene is sourced from PubChem (CID 79593117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).