2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde

C15H12O5 — CID 141256156

IUPAC2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1c(O)ccc(C=O)c1-c1cc(O)ccc1C=O
InChIInChI=1S/C15H12O5/c1-20-15-13(19)5-3-10(8-17)14(15)12-6-11(18)4-2-9(12)7-16/h2-8,18-19H,1H3
InChIKeyPRENGINWNWRFKF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde

2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde (PubChem CID 141256156) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
PubChem CID141256156
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1c(O)ccc(C=O)c1-c1cc(O)ccc1C=O
InChIInChI=1S/C15H12O5/c1-20-15-13(19)5-3-10(8-17)14(15)12-6-11(18)4-2-9(12)7-16/h2-8,18-19H,1H3
InChIKeyPRENGINWNWRFKF-UHFFFAOYSA-N
XLogP2.40
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde (CID 141256156) is 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde is COc1c(O)ccc(C=O)c1-c1cc(O)ccc1C=O.
What is the InChIKey of 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde?
The InChIKey is PRENGINWNWRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-20-15-13(19)5-3-10(8-17)14(15)12-6-11(18)4-2-9(12)7-16/h2-8,18-19H,1H3.
What are the key properties of 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde?
2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde has a molecular weight of 272.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-hydroxyphenyl)-4-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 141256156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).