2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone

C14H19NO4 — CID 43268016

IUPAC2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OCC(=O)N2CCCC2)c(CO)c1
InChIInChI=1S/C14H19NO4/c1-18-12-4-5-13(11(8-12)9-16)19-10-14(17)15-6-2-3-7-15/h4-5,8,16H,2-3,6-7,9-10H2,1H3
InChIKeyMLTYLRRMIIGLFP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone

2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 43268016) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID43268016
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OCC(=O)N2CCCC2)c(CO)c1
InChIInChI=1S/C14H19NO4/c1-18-12-4-5-13(11(8-12)9-16)19-10-14(17)15-6-2-3-7-15/h4-5,8,16H,2-3,6-7,9-10H2,1H3
InChIKeyMLTYLRRMIIGLFP-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-(2,4-dimethylphenoxy)-1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108543835
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone (CID 43268016) is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone is COc1ccc(OCC(=O)N2CCCC2)c(CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is MLTYLRRMIIGLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-4-5-13(11(8-12)9-16)19-10-14(17)15-6-2-3-7-15/h4-5,8,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 265.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43268016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).