4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde

C14H10O4 — CID 176967469

IUPAC4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2ccc(C=O)cc2O)c(O)c1
InChIInChI=1S/C14H10O4/c15-7-9-1-3-11(13(17)5-9)12-4-2-10(8-16)6-14(12)18/h1-8,17-18H
InChIKeyDRHMNHSVWOOPPM-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.39
Rot. Bonds3

About 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde

4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde (PubChem CID 176967469) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
PubChem CID176967469
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2ccc(C=O)cc2O)c(O)c1
InChIInChI=1S/C14H10O4/c15-7-9-1-3-11(13(17)5-9)12-4-2-10(8-16)6-14(12)18/h1-8,17-18H
InChIKeyDRHMNHSVWOOPPM-UHFFFAOYSA-N
XLogP2.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-phenylbenzaldehyde
CID 23143847
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3-hydroxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 86587842
3,4-dideuteriooxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 158431021
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-(dimethylamino)-3-hydroxybenzaldehyde
CID 21478067
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
CID 160848068
3,4,5-trihydroxybenzaldehyde
CID 157253405
4-fluoro-3-hydroxybenzaldehyde;tribromoborane
CID 160631935
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
CID 14334392

Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde?
The IUPAC name of 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde (CID 176967469) is 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde.
What is the SMILES notation for 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde?
The canonical SMILES for 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde is O=Cc1ccc(-c2ccc(C=O)cc2O)c(O)c1.
What is the InChIKey of 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde?
The InChIKey is DRHMNHSVWOOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-7-9-1-3-11(13(17)5-9)12-4-2-10(8-16)6-14(12)18/h1-8,17-18H.
What are the key properties of 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde?
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde has a molecular weight of 242.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde is sourced from PubChem (CID 176967469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).