4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane

C26H23O6PS — CID 175505824

IUPAC4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
SMILESCOc1cc(C=O)ccc1O.S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O3PS.C8H8O3/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-11-8-4-6(5-9)2-3-7(8)10/h1-15H;2-5,10H,1H3
InChIKeyYSFDINFLDWGBHU-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.66
Rot. Bonds8

About 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane

4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane (PubChem CID 175505824) has the molecular formula C26H23O6PS and a molecular weight of 494.51 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
PubChem CID175505824
Molecular FormulaC26H23O6PS
Molecular Weight494.51 g/mol
Exact Mass494.10
IUPAC Name4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
SMILESCOc1cc(C=O)ccc1O.S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O3PS.C8H8O3/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-11-8-4-6(5-9)2-3-7(8)10/h1-15H;2-5,10H,1H3
InChIKeyYSFDINFLDWGBHU-UHFFFAOYSA-N
XLogP6.66
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
CID 130345281
CID 130345281
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate
CID 175485767
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane (CID 175505824) is 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane is COc1cc(C=O)ccc1O.S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane?
The InChIKey is YSFDINFLDWGBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O3PS.C8H8O3/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-11-8-4-6(5-9)2-3-7(8)10/h1-15H;2-5,10H,1H3.
What are the key properties of 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane?
4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane has a molecular weight of 494.51 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 175505824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).