1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene

C10H11ClO — CID 143390143

IUPAC1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene
SMILESC/C=C(\C)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h3-7H,1-2H3/b8-3+
InChIKeyQOQFHCQLJDBXAP-FPYGCLRLSA-N
MW182.65 g/mol
LogP3.64
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene

1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene (PubChem CID 143390143) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene
PubChem CID143390143
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene
SMILESC/C=C(\C)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h3-7H,1-2H3/b8-3+
InChIKeyQOQFHCQLJDBXAP-FPYGCLRLSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene 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-[(Z)-but-2-en-2-yl]oxy-4-methylbenzene
CID 89339068
1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
CID 143090880
(4-chlorophenyl) acetate
CID 13410
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
bis(4-chlorophenoxy)methanimine
CID 15716338
1-chloro-4-(1-cyclobutylideneethoxy)benzene
CID 171524115
(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride
CID 11326398
4-(4-but-2-en-2-yloxyphenyl)sulfonyl-1,2-dimethylbenzene
CID 123774029
2-(4-chlorophenoxy)-3-hydroxyprop-2-enal
CID 3569705
(E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid
CID 6439541
[4-[1,2-dibromo-2-(4-chlorophenyl)ethyl]phenyl] acetate
CID 10622623
(4-chlorophenyl) 2-methoxyacetate
CID 849221

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene (CID 143390143) is 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene is C/C=C(\C)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene?
The InChIKey is QOQFHCQLJDBXAP-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H11ClO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h3-7H,1-2H3/b8-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene?
1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene has a molecular weight of 182.65 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene is sourced from PubChem (CID 143390143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).