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

C16H17O4P — CID 91083738

IUPAC2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
SMILESCOc1cc(P(OC)c2ccccc2)cc(OC)c1C=O
InChIInChI=1S/C16H17O4P/c1-18-15-9-13(10-16(19-2)14(15)11-17)21(20-3)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyDWPFRMKHYQESNC-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.51
Rot. Bonds6

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

2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde (PubChem CID 91083738) has the molecular formula C16H17O4P and a molecular weight of 304.28 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde.

Molecular Properties

Compound Name2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
PubChem CID91083738
Molecular FormulaC16H17O4P
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde
SMILESCOc1cc(P(OC)c2ccccc2)cc(OC)c1C=O
InChIInChI=1S/C16H17O4P/c1-18-15-9-13(10-16(19-2)14(15)11-17)21(20-3)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyDWPFRMKHYQESNC-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.51
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-[(2-methylpropan-2-yl)oxy-phenylphosphanyl]benzaldehyde
CID 91071721
2,6-dimethoxy-4-[phenyl(propoxy)phosphanyl]benzaldehyde
CID 90687309
lithium;2,6-dimethoxy-4-[2-methylpropoxy(phenyl)phosphanyl]benzaldehyde;hydride
CID 174416318
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 78037549
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 71212347
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
(2-formyl-5,6-dimethoxy-3-methylphenyl) phenylmethanesulfonate
CID 139990319
4-[4-[1-(4-formyl-3,5-dimethoxyphenyl)indol-4-yl]indol-1-yl]-2,6-dimethoxybenzaldehyde
CID 164566322

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde?
The IUPAC name of 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde (CID 91083738) is 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde.
What is the SMILES notation for 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde?
The canonical SMILES for 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde is COc1cc(P(OC)c2ccccc2)cc(OC)c1C=O.
What is the InChIKey of 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde?
The InChIKey is DWPFRMKHYQESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O4P/c1-18-15-9-13(10-16(19-2)14(15)11-17)21(20-3)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde?
2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde has a molecular weight of 304.28 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[methoxy(phenyl)phosphanyl]benzaldehyde is sourced from PubChem (CID 91083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).