1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone

C14H19NO3 — CID 79600312

IUPAC1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
SMILESCOCC1CCN(c2ccc(C(C)=O)c(O)c2)C1
InChIInChI=1S/C14H19NO3/c1-10(16)13-4-3-12(7-14(13)17)15-6-5-11(8-15)9-18-2/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyVIWUEXJYMNEDCD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone

1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone (PubChem CID 79600312) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
PubChem CID79600312
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
SMILESCOCC1CCN(c2ccc(C(C)=O)c(O)c2)C1
InChIInChI=1S/C14H19NO3/c1-10(16)13-4-3-12(7-14(13)17)15-6-5-11(8-15)9-18-2/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyVIWUEXJYMNEDCD-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-nitrophenyl]ethanone
CID 104613660
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]benzoate
CID 64598858
1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601191
1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
CID 130547309
2-bromo-4-[3-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 107282373
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153
4-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 64598678
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine
CID 64570614
1-[2-hydroxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]ethanone
CID 79590190
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
CID 79601015

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone (CID 79600312) is 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone is COCC1CCN(c2ccc(C(C)=O)c(O)c2)C1.
What is the InChIKey of 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone?
The InChIKey is VIWUEXJYMNEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(16)13-4-3-12(7-14(13)17)15-6-5-11(8-15)9-18-2/h3-4,7,11,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone?
1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 79600312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).