4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde

C16H15O6P — CID 58610952

IUPAC4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OPOc1ccc(C=O)cc1OC
InChIInChI=1S/C16H15O6P/c1-19-15-7-11(9-17)3-5-13(15)21-23-22-14-6-4-12(10-18)8-16(14)20-2/h3-10,23H,1-2H3
InChIKeyXSFCWLTUMDDJTC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.30
Rot. Bonds8

About 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde

4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde (PubChem CID 58610952) has the molecular formula C16H15O6P and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
PubChem CID58610952
Molecular FormulaC16H15O6P
Molecular Weight334.26 g/mol
Exact Mass334.06
IUPAC Name4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OPOc1ccc(C=O)cc1OC
InChIInChI=1S/C16H15O6P/c1-19-15-7-11(9-17)3-5-13(15)21-23-22-14-6-4-12(10-18)8-16(14)20-2/h3-10,23H,1-2H3
InChIKeyXSFCWLTUMDDJTC-UHFFFAOYSA-N
XLogP3.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-methoxy-4-prop-1-enoxybenzaldehyde
CID 54295284
(4-formyl-2-methoxyphenyl) nitrate
CID 22323696
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3,4-bis(trideuteriomethoxy)benzaldehyde
CID 56933525
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735

Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde?
The IUPAC name of 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde (CID 58610952) is 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde?
The canonical SMILES for 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OPOc1ccc(C=O)cc1OC.
What is the InChIKey of 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde?
The InChIKey is XSFCWLTUMDDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O6P/c1-19-15-7-11(9-17)3-5-13(15)21-23-22-14-6-4-12(10-18)8-16(14)20-2/h3-10,23H,1-2H3.
What are the key properties of 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde?
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde has a molecular weight of 334.26 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde is sourced from PubChem (CID 58610952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).