(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C14H18FNO3 — CID 102784891

IUPAC(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H18FNO3/c1-9-6-7-16(11(9)8-17)14(18)13-10(15)4-3-5-12(13)19-2/h3-5,9,11,17H,6-8H2,1-2H3
InChIKeyLNQVDBHUOKOWRT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.68
Rot. Bonds3

About (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102784891) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102784891
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(F)c1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H18FNO3/c1-9-6-7-16(11(9)8-17)14(18)13-10(15)4-3-5-12(13)19-2/h3-5,9,11,17H,6-8H2,1-2H3
InChIKeyLNQVDBHUOKOWRT-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
2-(2,6-difluorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102738066
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102785785
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630
1-(2-fluoro-6-methoxybenzoyl)azepane-2-carboxylic acid
CID 65433605
(E)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102737761
(2-fluoro-6-methoxyphenyl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
CID 70720752
(4-bromopiperidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80662755
(5-fluoro-2-hydroxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738496
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243
[4-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65435015
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 102788437

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102784891) is (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is COc1cccc(F)c1C(=O)N1CCC(C)C1CO.
What is the InChIKey of (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is LNQVDBHUOKOWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-6-7-16(11(9)8-17)14(18)13-10(15)4-3-5-12(13)19-2/h3-5,9,11,17H,6-8H2,1-2H3.
What are the key properties of (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 267.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102784891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).