4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde

C16H13ClO3 — CID 12925058

IUPAC4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde
SMILESO=Cc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1
InChIInChI=1S/C16H13ClO3/c17-15-7-5-14(6-8-15)16(19-9-10-20-16)13-3-1-12(11-18)2-4-13/h1-8,11H,9-10H2
InChIKeyXJMKQMQPUYACLT-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.40
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde

4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde (PubChem CID 12925058) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde
PubChem CID12925058
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde
SMILESO=Cc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1
InChIInChI=1S/C16H13ClO3/c17-15-7-5-14(6-8-15)16(19-9-10-20-16)13-3-1-12(11-18)2-4-13/h1-8,11H,9-10H2
InChIKeyXJMKQMQPUYACLT-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobenzaldehyde
CID 7726
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde
CID 89073128
4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzaldehyde
CID 164891839
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
4-[2-(4-chlorophenyl)-3,4-dioxocyclobuten-1-yl]benzaldehyde
CID 101435244
benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
CID 158703985
spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde
CID 74892498
5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde
CID 57074211
4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine
CID 141276156
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
4-[(Z)-2-chloroethenyl]benzaldehyde
CID 177460651

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde (CID 12925058) is 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde is O=Cc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde?
The InChIKey is XJMKQMQPUYACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-15-7-5-14(6-8-15)16(19-9-10-20-16)13-3-1-12(11-18)2-4-13/h1-8,11H,9-10H2.
What are the key properties of 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde?
4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde has a molecular weight of 288.73 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde is sourced from PubChem (CID 12925058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).