2-hydroxy-5-phenylmethoxybenzaldehyde

C14H12O3 — CID 878362

IUPAC2-hydroxy-5-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(OCc2ccccc2)ccc1O
InChIInChI=1S/C14H12O3/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyQIQZAISWDRNIFG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.78
Rot. Bonds4

About 2-hydroxy-5-phenylmethoxybenzaldehyde

2-hydroxy-5-phenylmethoxybenzaldehyde (PubChem CID 878362) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-hydroxy-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-phenylmethoxybenzaldehyde
PubChem CID878362
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-hydroxy-5-phenylmethoxybenzaldehyde
SMILESO=Cc1cc(OCc2ccccc2)ccc1O
InChIInChI=1S/C14H12O3/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKeyQIQZAISWDRNIFG-UHFFFAOYSA-N
XLogP2.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-5-phenylmethoxybenzaldehyde?
The IUPAC name of 2-hydroxy-5-phenylmethoxybenzaldehyde (CID 878362) is 2-hydroxy-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-5-phenylmethoxybenzaldehyde is O=Cc1cc(OCc2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-phenylmethoxybenzaldehyde?
The InChIKey is QIQZAISWDRNIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2.
What are the key properties of 2-hydroxy-5-phenylmethoxybenzaldehyde?
2-hydroxy-5-phenylmethoxybenzaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 878362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).