5-hydroxy-2-phenoxybenzaldehyde

C13H10O3 — CID 125464703

IUPAC5-hydroxy-2-phenoxybenzaldehyde
SMILESO=Cc1cc(O)ccc1Oc1ccccc1
InChIInChI=1S/C13H10O3/c14-9-10-8-11(15)6-7-13(10)16-12-4-2-1-3-5-12/h1-9,15H
InChIKeyHQXCRILBXMJDSR-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.00
Rot. Bonds3

About 5-hydroxy-2-phenoxybenzaldehyde

5-hydroxy-2-phenoxybenzaldehyde (PubChem CID 125464703) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-hydroxy-2-phenoxybenzaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-phenoxybenzaldehyde
PubChem CID125464703
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name5-hydroxy-2-phenoxybenzaldehyde
SMILESO=Cc1cc(O)ccc1Oc1ccccc1
InChIInChI=1S/C13H10O3/c14-9-10-8-11(15)6-7-13(10)16-12-4-2-1-3-5-12/h1-9,15H
InChIKeyHQXCRILBXMJDSR-UHFFFAOYSA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
2,4-diphenoxybenzaldehyde
CID 87301631
2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 11244224
3-phenoxybenzene-1,2-diol;4-phenoxybenzene-1,3-diol
CID 70468800
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
4-(4-hydroxy-2-phenoxyphenoxy)butanoic acid
CID 66972127
[4-[2-[4-[2-formyl-4-(2-phenylpropan-2-yl)phenoxy]phenyl]propan-2-yl]phenyl] acetate
CID 59017577
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
4-(4-methylsulfonylphenyl)-3-phenoxyphenol
CID 139699276
4,6-diphenoxybenzene-1,3-diol
CID 90212443
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-pyridin-4-yloxybenzaldehyde
CID 72943025

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenoxybenzaldehyde?
The IUPAC name of 5-hydroxy-2-phenoxybenzaldehyde (CID 125464703) is 5-hydroxy-2-phenoxybenzaldehyde.
What is the SMILES notation for 5-hydroxy-2-phenoxybenzaldehyde?
The canonical SMILES for 5-hydroxy-2-phenoxybenzaldehyde is O=Cc1cc(O)ccc1Oc1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenoxybenzaldehyde?
The InChIKey is HQXCRILBXMJDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-9-10-8-11(15)6-7-13(10)16-12-4-2-1-3-5-12/h1-9,15H.
What are the key properties of 5-hydroxy-2-phenoxybenzaldehyde?
5-hydroxy-2-phenoxybenzaldehyde has a molecular weight of 214.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenoxybenzaldehyde is sourced from PubChem (CID 125464703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).