4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide

C15H15NO3 — CID 170764185

IUPAC4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(O)cc(CO)c1
InChIInChI=1S/C15H15NO3/c1-9-4-11(15(16)19)2-3-14(9)12-5-10(8-17)6-13(18)7-12/h2-7,17-18H,8H2,1H3,(H2,16,19)
InChIKeyGMEORHCWWPHGHN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.96
Rot. Bonds3

About 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide

4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide (PubChem CID 170764185) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
PubChem CID170764185
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(O)cc(CO)c1
InChIInChI=1S/C15H15NO3/c1-9-4-11(15(16)19)2-3-14(9)12-5-10(8-17)6-13(18)7-12/h2-7,17-18H,8H2,1H3,(H2,16,19)
InChIKeyGMEORHCWWPHGHN-UHFFFAOYSA-N
XLogP1.96
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide
CID 170764378
4-[3-[[3-(aminomethyl)morpholin-4-yl]methyl]-5-hydroxyphenyl]-3-methylbenzamide
CID 174258423
4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide
CID 170764337
N-[1-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]ethyl]formamide;4-[3-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-methylbenzamide
CID 170764322
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
CID 58276465
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide
CID 58276768
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226
ethyl 4-[(1S)-1-[[2-[(2R)-1-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]pyrrolidin-2-yl]acetyl]amino]ethyl]-2-hydroxybenzoate
CID 170764170
2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide
CID 144811331
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide (CID 170764185) is 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1cc(O)cc(CO)c1.
What is the InChIKey of 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide?
The InChIKey is GMEORHCWWPHGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-4-11(15(16)19)2-3-14(9)12-5-10(8-17)6-13(18)7-12/h2-7,17-18H,8H2,1H3,(H2,16,19).
What are the key properties of 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide?
4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 170764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).