2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde

C30H20O8 — CID 146013313

IUPAC2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
SMILESO=Cc1cc(C(=C(c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)ccc1O
InChIInChI=1S/C30H20O8/c31-13-21-9-17(1-5-25(21)35)29(18-2-6-26(36)22(10-18)14-32)30(19-3-7-27(37)23(11-19)15-33)20-4-8-28(38)24(12-20)16-34/h1-16,35-38H
InChIKeyGUHLLWSXHXBUGB-UHFFFAOYSA-N
MW508.48 g/mol
LogP4.77
Rot. Bonds8

About 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde

2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde (PubChem CID 146013313) has the molecular formula C30H20O8 and a molecular weight of 508.48 g/mol. Its IUPAC name is 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
PubChem CID146013313
Molecular FormulaC30H20O8
Molecular Weight508.48 g/mol
Exact Mass508.12
IUPAC Name2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
SMILESO=Cc1cc(C(=C(c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)ccc1O
InChIInChI=1S/C30H20O8/c31-13-21-9-17(1-5-25(21)35)29(18-2-6-26(36)22(10-18)14-32)30(19-3-7-27(37)23(11-19)15-33)20-4-8-28(38)24(12-20)16-34/h1-16,35-38H
InChIKeyGUHLLWSXHXBUGB-UHFFFAOYSA-N
XLogP4.77
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.48
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
CID 100926056
5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
CID 102476635
5-(2-amino-3,3-dimethylbutanoyl)-2-hydroxybenzaldehyde;hydrochloride
CID 166641780
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240
2-hydroxy-4-[4-[1,2,2-tris[4-(4-formyl-3-hydroxyphenyl)phenyl]ethenyl]phenyl]benzaldehyde
CID 172878726
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
2-hydroxy-5-(2-oxopropyl)benzaldehyde
CID 130776393
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
methyl 4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794481
3-formyl-4-hydroxybenzonitrile
CID 11789350
CID 87885081
CID 87885081
5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
CID 145483773

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde (CID 146013313) is 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde is O=Cc1cc(C(=C(c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)c2ccc(O)c(C=O)c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde?
The InChIKey is GUHLLWSXHXBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O8/c31-13-21-9-17(1-5-25(21)35)29(18-2-6-26(36)22(10-18)14-32)30(19-3-7-27(37)23(11-19)15-33)20-4-8-28(38)24(12-20)16-34/h1-16,35-38H.
What are the key properties of 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde?
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde has a molecular weight of 508.48 g/mol, XLogP of 4.77, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 146013313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).