2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide

C16H17NO3 — CID 107713704

IUPAC2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccccc2CCO)c1
InChIInChI=1S/C16H17NO3/c1-11-6-7-13(16(17)19)15(10-11)20-14-5-3-2-4-12(14)8-9-18/h2-7,10,18H,8-9H2,1H3,(H2,17,19)
InChIKeyLKDWYZUHYDFJAW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide

2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide (PubChem CID 107713704) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
PubChem CID107713704
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccccc2CCO)c1
InChIInChI=1S/C16H17NO3/c1-11-6-7-13(16(17)19)15(10-11)20-14-5-3-2-4-12(14)8-9-18/h2-7,10,18H,8-9H2,1H3,(H2,17,19)
InChIKeyLKDWYZUHYDFJAW-UHFFFAOYSA-N
XLogP2.42
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzenecarbothioamide
CID 107712493
2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
CID 107712429
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
CID 107713839
2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide (CID 107713704) is 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide is Cc1ccc(C(N)=O)c(Oc2ccccc2CCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide?
The InChIKey is LKDWYZUHYDFJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-7-13(16(17)19)15(10-11)20-14-5-3-2-4-12(14)8-9-18/h2-7,10,18H,8-9H2,1H3,(H2,17,19).
What are the key properties of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide?
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide is sourced from PubChem (CID 107713704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).