4-(2-phosphanylethoxy)benzaldehyde

C9H11O2P — CID 143962429

IUPAC4-(2-phosphanylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCP)cc1
InChIInChI=1S/C9H11O2P/c10-7-8-1-3-9(4-2-8)11-5-6-12/h1-4,7H,5-6,12H2
InChIKeyVJDQLYOHIBNFBP-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.75
Rot. Bonds4

About 4-(2-phosphanylethoxy)benzaldehyde

4-(2-phosphanylethoxy)benzaldehyde (PubChem CID 143962429) has the molecular formula C9H11O2P and a molecular weight of 182.16 g/mol. Its IUPAC name is 4-(2-phosphanylethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-phosphanylethoxy)benzaldehyde
PubChem CID143962429
Molecular FormulaC9H11O2P
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Name4-(2-phosphanylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCP)cc1
InChIInChI=1S/C9H11O2P/c10-7-8-1-3-9(4-2-8)11-5-6-12/h1-4,7H,5-6,12H2
InChIKeyVJDQLYOHIBNFBP-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-phosphanylethoxy)benzaldehyde 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

4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-icosoxybenzaldehyde
CID 23127488
4-[2-(difluoromethoxy)ethoxy]benzaldehyde
CID 118384245
4-(4-methylpent-3-enoxy)benzaldehyde
CID 139652723

Frequently Asked Questions

What is the IUPAC name of 4-(2-phosphanylethoxy)benzaldehyde?
The IUPAC name of 4-(2-phosphanylethoxy)benzaldehyde (CID 143962429) is 4-(2-phosphanylethoxy)benzaldehyde.
What is the SMILES notation for 4-(2-phosphanylethoxy)benzaldehyde?
The canonical SMILES for 4-(2-phosphanylethoxy)benzaldehyde is O=Cc1ccc(OCCP)cc1.
What is the InChIKey of 4-(2-phosphanylethoxy)benzaldehyde?
The InChIKey is VJDQLYOHIBNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P/c10-7-8-1-3-9(4-2-8)11-5-6-12/h1-4,7H,5-6,12H2.
What are the key properties of 4-(2-phosphanylethoxy)benzaldehyde?
4-(2-phosphanylethoxy)benzaldehyde has a molecular weight of 182.16 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phosphanylethoxy)benzaldehyde is sourced from PubChem (CID 143962429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).