2-hydroxy-5-(2-phenylethyl)benzaldehyde

C15H14O2 — CID 101003215

IUPAC2-hydroxy-5-(2-phenylethyl)benzaldehyde
SMILESO=Cc1cc(CCc2ccccc2)ccc1O
InChIInChI=1S/C15H14O2/c16-11-14-10-13(8-9-15(14)17)7-6-12-4-2-1-3-5-12/h1-5,8-11,17H,6-7H2
InChIKeyKTISIRICAVFTKP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.99
Rot. Bonds4

About 2-hydroxy-5-(2-phenylethyl)benzaldehyde

2-hydroxy-5-(2-phenylethyl)benzaldehyde (PubChem CID 101003215) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-hydroxy-5-(2-phenylethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(2-phenylethyl)benzaldehyde
PubChem CID101003215
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-hydroxy-5-(2-phenylethyl)benzaldehyde
SMILESO=Cc1cc(CCc2ccccc2)ccc1O
InChIInChI=1S/C15H14O2/c16-11-14-10-13(8-9-15(14)17)7-6-12-4-2-1-3-5-12/h1-5,8-11,17H,6-7H2
InChIKeyKTISIRICAVFTKP-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-phenylethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(2-phenylethyl)benzaldehyde (CID 101003215) is 2-hydroxy-5-(2-phenylethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(2-phenylethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(2-phenylethyl)benzaldehyde is O=Cc1cc(CCc2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(2-phenylethyl)benzaldehyde?
The InChIKey is KTISIRICAVFTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-11-14-10-13(8-9-15(14)17)7-6-12-4-2-1-3-5-12/h1-5,8-11,17H,6-7H2.
What are the key properties of 2-hydroxy-5-(2-phenylethyl)benzaldehyde?
2-hydroxy-5-(2-phenylethyl)benzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-phenylethyl)benzaldehyde is sourced from PubChem (CID 101003215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).