2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde

C15H14O3 — CID 159871714

IUPAC2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
SMILESCOc1ccc(O)c(C(C=O)c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-18-12-7-8-15(17)13(9-12)14(10-16)11-5-3-2-4-6-11/h2-10,14,17H,1H3
InChIKeyQQFNCGFDFWTSHR-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde

2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde (PubChem CID 159871714) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
PubChem CID159871714
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
SMILESCOc1ccc(O)c(C(C=O)c2ccccc2)c1
InChIInChI=1S/C15H14O3/c1-18-12-7-8-15(17)13(9-12)14(10-16)11-5-3-2-4-6-11/h2-10,14,17H,1H3
InChIKeyQQFNCGFDFWTSHR-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.73
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-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide
CID 86610237
2-(5-bromo-2-hydroxyphenyl)-2-phenylacetaldehyde
CID 159871712
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
CID 89497006
4-methoxy-2-(3-methyl-4-phenylbut-3-en-2-yl)phenol
CID 175123260
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
CID 131010117
2-(5-bromo-2,4-difluorophenyl)-2-(4-methoxyphenyl)acetaldehyde
CID 144744868
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
CID 132917189
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde (CID 159871714) is 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde is COc1ccc(O)c(C(C=O)c2ccccc2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde?
The InChIKey is QQFNCGFDFWTSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-12-7-8-15(17)13(9-12)14(10-16)11-5-3-2-4-6-11/h2-10,14,17H,1H3.
What are the key properties of 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde?
2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde has a molecular weight of 242.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 159871714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).