4-(hydroxymethyl)-2-methylbenzamide

C9H11NO2 — CID 69484226

IUPAC4-(hydroxymethyl)-2-methylbenzamide
SMILESCc1cc(CO)ccc1C(N)=O
InChIInChI=1S/C9H11NO2/c1-6-4-7(5-11)2-3-8(6)9(10)12/h2-4,11H,5H2,1H3,(H2,10,12)
InChIKeyXGQFHARXPLWITB-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.59
Rot. Bonds2

About 4-(hydroxymethyl)-2-methylbenzamide

4-(hydroxymethyl)-2-methylbenzamide (PubChem CID 69484226) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methylbenzamide
PubChem CID69484226
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(hydroxymethyl)-2-methylbenzamide
SMILESCc1cc(CO)ccc1C(N)=O
InChIInChI=1S/C9H11NO2/c1-6-4-7(5-11)2-3-8(6)9(10)12/h2-4,11H,5H2,1H3,(H2,10,12)
InChIKeyXGQFHARXPLWITB-UHFFFAOYSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-2-methylbenzenecarboperoxoic acid
CID 56987862
4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172
2-methyl-4-[4-(methylaminomethyl)phenoxy]benzamide
CID 106486919
methyl 2-amino-4-(hydroxymethyl)benzoate
CID 602338
2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743804
ethyl 4-(bromomethyl)-2-methylbenzoate
CID 21257185
4-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 18629047
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107744001
4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
4-[(diaminomethylideneamino)methyl]-2-methylbenzoic acid
CID 66895076

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methylbenzamide?
The IUPAC name of 4-(hydroxymethyl)-2-methylbenzamide (CID 69484226) is 4-(hydroxymethyl)-2-methylbenzamide.
What is the SMILES notation for 4-(hydroxymethyl)-2-methylbenzamide?
The canonical SMILES for 4-(hydroxymethyl)-2-methylbenzamide is Cc1cc(CO)ccc1C(N)=O.
What is the InChIKey of 4-(hydroxymethyl)-2-methylbenzamide?
The InChIKey is XGQFHARXPLWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-7(5-11)2-3-8(6)9(10)12/h2-4,11H,5H2,1H3,(H2,10,12).
What are the key properties of 4-(hydroxymethyl)-2-methylbenzamide?
4-(hydroxymethyl)-2-methylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methylbenzamide is sourced from PubChem (CID 69484226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).