2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde

C18H21O4P — CID 90687309

IUPAC2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
SMILESCCCOP(c1ccccc1)c1cc(OC)c(C=O)c(OC)c1
InChIInChI=1S/C18H21O4P/c1-4-10-22-23(14-8-6-5-7-9-14)15-11-17(20-2)16(13-19)18(12-15)21-3/h5-9,11-13H,4,10H2,1-3H3
InChIKeySKZDTUDNVKCYNA-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.29
Rot. Bonds8

About 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde

2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde (PubChem CID 90687309) has the molecular formula C18H21O4P and a molecular weight of 332.34 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde.

Molecular Properties

Compound Name2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
PubChem CID90687309
Molecular FormulaC18H21O4P
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
SMILESCCCOP(c1ccccc1)c1cc(OC)c(C=O)c(OC)c1
InChIInChI=1S/C18H21O4P/c1-4-10-22-23(14-8-6-5-7-9-14)15-11-17(20-2)16(13-19)18(12-15)21-3/h5-9,11-13H,4,10H2,1-3H3
InChIKeySKZDTUDNVKCYNA-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
CID 91083738
lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
CID 174416318
2,6-dimethoxy-4-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
CID 91071721
4-[hexoxy(phenyl)phosphanyl]-2,6-dimethylbenzaldehyde
CID 174395790
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
1,2-dimethoxybenzene;propanal
CID 174258099
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde?
The IUPAC name of 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde (CID 90687309) is 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde.
What is the SMILES notation for 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde?
The canonical SMILES for 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde is CCCOP(c1ccccc1)c1cc(OC)c(C=O)c(OC)c1.
What is the InChIKey of 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde?
The InChIKey is SKZDTUDNVKCYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O4P/c1-4-10-22-23(14-8-6-5-7-9-14)15-11-17(20-2)16(13-19)18(12-15)21-3/h5-9,11-13H,4,10H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde?
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde has a molecular weight of 332.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde is sourced from PubChem (CID 90687309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).