4-(hydroxymethyl)benzamide

C8H9NO2 — CID 584760

IUPAC4-(hydroxymethyl)benzamide
SMILESNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C8H9NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4,10H,5H2,(H2,9,11)
InChIKeyCBNMHHVYVQEPCW-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.28
Rot. Bonds2

About 4-(hydroxymethyl)benzamide

4-(hydroxymethyl)benzamide (PubChem CID 584760) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)benzamide
PubChem CID584760
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-(hydroxymethyl)benzamide
SMILESNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C8H9NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4,10H,5H2,(H2,9,11)
InChIKeyCBNMHHVYVQEPCW-UHFFFAOYSA-N
XLogP0.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)benzamide?
The IUPAC name of 4-(hydroxymethyl)benzamide (CID 584760) is 4-(hydroxymethyl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)benzamide is NC(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)benzamide?
The InChIKey is CBNMHHVYVQEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4,10H,5H2,(H2,9,11).
What are the key properties of 4-(hydroxymethyl)benzamide?
4-(hydroxymethyl)benzamide has a molecular weight of 151.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)benzamide is sourced from PubChem (CID 584760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).