5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde

C16H17NO2 — CID 89357003

IUPAC5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde
SMILESCN(C)c1ccc(-c2ccc(CO)c(C=O)c2)cc1
InChIInChI=1S/C16H17NO2/c1-17(2)16-7-5-12(6-8-16)13-3-4-14(10-18)15(9-13)11-19/h3-9,11,18H,10H2,1-2H3
InChIKeyCAHCYMBECVJHMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.72
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde

5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde (PubChem CID 89357003) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde
PubChem CID89357003
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde
SMILESCN(C)c1ccc(-c2ccc(CO)c(C=O)c2)cc1
InChIInChI=1S/C16H17NO2/c1-17(2)16-7-5-12(6-8-16)13-3-4-14(10-18)15(9-13)11-19/h3-9,11,18H,10H2,1-2H3
InChIKeyCAHCYMBECVJHMA-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.72
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 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde (CID 89357003) is 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde is CN(C)c1ccc(-c2ccc(CO)c(C=O)c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde?
The InChIKey is CAHCYMBECVJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)16-7-5-12(6-8-16)13-3-4-14(10-18)15(9-13)11-19/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde?
5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde is sourced from PubChem (CID 89357003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).