5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde

C25H24O5 — CID 87221764

IUPAC5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde
SMILESCCCc1cc(Cc2ccc(O)c(C=O)c2)c(O)c(Cc2ccc(O)c(C=O)c2)c1
InChIInChI=1S/C25H24O5/c1-2-3-16-8-19(10-17-4-6-23(28)21(12-17)14-26)25(30)20(9-16)11-18-5-7-24(29)22(13-18)15-27/h4-9,12-15,28-30H,2-3,10-11H2,1H3
InChIKeyCRZOLVLEKJXQMP-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.56
Rot. Bonds8

About 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde

5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde (PubChem CID 87221764) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde
PubChem CID87221764
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde
SMILESCCCc1cc(Cc2ccc(O)c(C=O)c2)c(O)c(Cc2ccc(O)c(C=O)c2)c1
InChIInChI=1S/C25H24O5/c1-2-3-16-8-19(10-17-4-6-23(28)21(12-17)14-26)25(30)20(9-16)11-18-5-7-24(29)22(13-18)15-27/h4-9,12-15,28-30H,2-3,10-11H2,1H3
InChIKeyCRZOLVLEKJXQMP-UHFFFAOYSA-N
XLogP4.56
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-butyl-3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221690
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
2-hydroxy-5-(2-oxopropyl)benzaldehyde
CID 130776393
triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium
CID 15821532
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-hydroxy-5-(4-phenylbutyl)benzaldehyde
CID 166610719
N-[2-(3-formyl-4-hydroxyphenyl)ethyl]-methylboronamidic acid
CID 166045297
5-[[5-[[3-[(4-fluoro-3-formylphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-3,6-dimethylphenyl]methyl]-2-hydroxybenzaldehyde
CID 88980988
4-butyl-2,5-dihydroxybenzaldehyde
CID 174681209
2-[carboxymethyl-[[3-[[carboxymethyl(formyloxymethyl)amino]methyl]-2-hydroxy-5-propylphenyl]methyl]amino]acetic acid
CID 135252395

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde (CID 87221764) is 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde is CCCc1cc(Cc2ccc(O)c(C=O)c2)c(O)c(Cc2ccc(O)c(C=O)c2)c1.
What is the InChIKey of 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde?
The InChIKey is CRZOLVLEKJXQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-2-3-16-8-19(10-17-4-6-23(28)21(12-17)14-26)25(30)20(9-16)11-18-5-7-24(29)22(13-18)15-27/h4-9,12-15,28-30H,2-3,10-11H2,1H3.
What are the key properties of 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde?
5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde has a molecular weight of 404.46 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 87221764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).