4-but-2-enoxy-3-chlorobenzaldehyde

C11H11ClO2 — CID 76914545

IUPAC4-but-2-enoxy-3-chlorobenzaldehyde
SMILESCC=CCOc1ccc(C=O)cc1Cl
InChIInChI=1S/C11H11ClO2/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h2-5,7-8H,6H2,1H3
InChIKeyGDHKQKLZPOWPQM-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.11
Rot. Bonds4

About 4-but-2-enoxy-3-chlorobenzaldehyde

4-but-2-enoxy-3-chlorobenzaldehyde (PubChem CID 76914545) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-but-2-enoxy-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-but-2-enoxy-3-chlorobenzaldehyde
PubChem CID76914545
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name4-but-2-enoxy-3-chlorobenzaldehyde
SMILESCC=CCOc1ccc(C=O)cc1Cl
InChIInChI=1S/C11H11ClO2/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h2-5,7-8H,6H2,1H3
InChIKeyGDHKQKLZPOWPQM-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
1-(4-but-2-enoxy-3-chlorophenyl)ethanone
CID 76977275
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-(2-bromoethoxy)-3-chlorobenzaldehyde
CID 71756025
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536
3-chloro-4-(2-oxopentoxy)benzaldehyde
CID 62044503
3-chloro-4-(2-oxobutoxy)benzaldehyde
CID 62039792
4-(2-chloro-4-formylphenoxy)-N-methylbutanamide
CID 63890999
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
4-(10-bromodecoxy)-3-chlorobenzaldehyde
CID 134562516

Frequently Asked Questions

What is the IUPAC name of 4-but-2-enoxy-3-chlorobenzaldehyde?
The IUPAC name of 4-but-2-enoxy-3-chlorobenzaldehyde (CID 76914545) is 4-but-2-enoxy-3-chlorobenzaldehyde.
What is the SMILES notation for 4-but-2-enoxy-3-chlorobenzaldehyde?
The canonical SMILES for 4-but-2-enoxy-3-chlorobenzaldehyde is CC=CCOc1ccc(C=O)cc1Cl.
What is the InChIKey of 4-but-2-enoxy-3-chlorobenzaldehyde?
The InChIKey is GDHKQKLZPOWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-but-2-enoxy-3-chlorobenzaldehyde?
4-but-2-enoxy-3-chlorobenzaldehyde has a molecular weight of 210.66 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enoxy-3-chlorobenzaldehyde is sourced from PubChem (CID 76914545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).