5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde

C23H22O6 — CID 24800651

IUPAC5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde
SMILESCOc1c(C=O)cc(C(O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C23H22O6/c1-26-21-16(14-24)13-19(22(27-2)23(21)28-3)20(25)15-9-11-18(12-10-15)29-17-7-5-4-6-8-17/h4-14,20,25H,1-3H3
InChIKeyYEHAQLOLDUJIBH-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.40
Rot. Bonds8

About 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde

5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde (PubChem CID 24800651) has the molecular formula C23H22O6 and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde.

Molecular Properties

Compound Name5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde
PubChem CID24800651
Molecular FormulaC23H22O6
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Name5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde
SMILESCOc1c(C=O)cc(C(O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C23H22O6/c1-26-21-16(14-24)13-19(22(27-2)23(21)28-3)20(25)15-9-11-18(12-10-15)29-17-7-5-4-6-8-17/h4-14,20,25H,1-3H3
InChIKeyYEHAQLOLDUJIBH-UHFFFAOYSA-N
XLogP4.40
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
CID 24800476
1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol
CID 24800824
2,4-diphenoxybenzaldehyde
CID 87301631
1,4-diphenoxybenzene;ethane;tris(2-(2-methoxyphenyl)benzaldehyde)
CID 145045586
2-chloro-5-phenoxybenzaldehyde
CID 131420183
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
5-hydroxy-2-phenoxybenzaldehyde
CID 125464703
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
methyl (4-phenoxyphenyl) carbonate
CID 19704468
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde?
The IUPAC name of 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde (CID 24800651) is 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde.
What is the SMILES notation for 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde?
The canonical SMILES for 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde is COc1c(C=O)cc(C(O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC.
What is the InChIKey of 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde?
The InChIKey is YEHAQLOLDUJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6/c1-26-21-16(14-24)13-19(22(27-2)23(21)28-3)20(25)15-9-11-18(12-10-15)29-17-7-5-4-6-8-17/h4-14,20,25H,1-3H3.
What are the key properties of 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde?
5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde has a molecular weight of 394.42 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde is sourced from PubChem (CID 24800651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).