5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde

C52H40O8 — CID 139091874

IUPAC5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde
SMILESCc1cc(O)c(C=O)cc1-c1cccc2cccc(-c3cc(C=O)c(O)cc3C)c12.Cc1cc(O)c(C=O)cc1-c1cccc2cccc(-c3cc(C=O)c(O)cc3C)c12
InChIInChI=1S/2C26H20O4/c2*1-15-9-24(29)18(13-27)11-22(15)20-7-3-5-17-6-4-8-21(26(17)20)23-12-19(14-28)25(30)10-16(23)2/h2*3-14,29-30H,1-2H3
InChIKeyBIAGCGZWXLIKHO-UHFFFAOYSA-N
MW792.88 g/mol
LogP11.65
Rot. Bonds8

About 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde

5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde (PubChem CID 139091874) has the molecular formula C52H40O8 and a molecular weight of 792.88 g/mol. Its IUPAC name is 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde.

Molecular Properties

Compound Name5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde
PubChem CID139091874
Molecular FormulaC52H40O8
Molecular Weight792.88 g/mol
Exact Mass792.27
IUPAC Name5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde
SMILESCc1cc(O)c(C=O)cc1-c1cccc2cccc(-c3cc(C=O)c(O)cc3C)c12.Cc1cc(O)c(C=O)cc1-c1cccc2cccc(-c3cc(C=O)c(O)cc3C)c12
InChIInChI=1S/2C26H20O4/c2*1-15-9-24(29)18(13-27)11-22(15)20-7-3-5-17-6-4-8-21(26(17)20)23-12-19(14-28)25(30)10-16(23)2/h2*3-14,29-30H,1-2H3
InChIKeyBIAGCGZWXLIKHO-UHFFFAOYSA-N
XLogP11.65
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.88
LogP ≤ 511.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-8-methylnaphthalene-1-carbaldehyde
CID 176847808
8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
CID 157321941
5-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1,3-dioxobenzo[de]isoquinolin-6-yl]-2-hydroxybenzaldehyde
CID 171392065
4-chloro-5-(2-chlorophenyl)-2-hydroxybenzaldehyde
CID 145048893
4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
CID 165451387
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
4-hydroxy-5-methylnaphthalene-1-carbaldehyde
CID 14986452
8-methylbenzo[k]fluoranthene
CID 13440508
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
fluoranthene
CID 139203734
5-[8-[(E)-4-formyl-5-oxohex-2-en-2-yl]naphthalen-1-yl]-2-hydroxybenzaldehyde
CID 123975131

Frequently Asked Questions

What is the IUPAC name of 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde?
The IUPAC name of 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde (CID 139091874) is 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde.
What is the SMILES notation for 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde?
The canonical SMILES for 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde is Cc1cc(O)c(C=O)cc1-c1cccc2cccc(-c3cc(C=O)c(O)cc3C)c12.Cc1cc(O)c(C=O)cc1-c1cccc2cccc(-c3cc(C=O)c(O)cc3C)c12.
What is the InChIKey of 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde?
The InChIKey is BIAGCGZWXLIKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20O4/c2*1-15-9-24(29)18(13-27)11-22(15)20-7-3-5-17-6-4-8-21(26(17)20)23-12-19(14-28)25(30)10-16(23)2/h2*3-14,29-30H,1-2H3.
What are the key properties of 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde?
5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde has a molecular weight of 792.88 g/mol, XLogP of 11.65, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde is sourced from PubChem (CID 139091874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).