5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde

C16H10O4 — CID 102476635

IUPAC5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc(C#Cc2ccc(O)c(C=O)c2)ccc1O
InChIInChI=1S/C16H10O4/c17-9-13-7-11(3-5-15(13)19)1-2-12-4-6-16(20)14(8-12)10-18/h3-10,19-20H
InChIKeyOZAKMEBFUQXKAZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.12
Rot. Bonds2

About 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde

5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde (PubChem CID 102476635) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
PubChem CID102476635
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc(C#Cc2ccc(O)c(C=O)c2)ccc1O
InChIInChI=1S/C16H10O4/c17-9-13-7-11(3-5-15(13)19)1-2-12-4-6-16(20)14(8-12)10-18/h3-10,19-20H
InChIKeyOZAKMEBFUQXKAZ-UHFFFAOYSA-N
XLogP2.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-4-hydroxybenzonitrile
CID 11789350
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240
5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
CID 122358686
3-tert-butyl-2-hydroxy-5-[2-(4-hydroxyphenyl)ethynyl]benzaldehyde
CID 11709122
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
5-(3-formyl-4-hydroxyphenoxy)iodanuidyloxy-2-hydroxybenzaldehyde
CID 145483773
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
CID 87885081
CID 87885081
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
CID 100926056
CID 158421076
CID 158421076

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde (CID 102476635) is 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde is O=Cc1cc(C#Cc2ccc(O)c(C=O)c2)ccc1O.
What is the InChIKey of 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde?
The InChIKey is OZAKMEBFUQXKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-9-13-7-11(3-5-15(13)19)1-2-12-4-6-16(20)14(8-12)10-18/h3-10,19-20H.
What are the key properties of 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde?
5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde has a molecular weight of 266.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 102476635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).