[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone

C19H21NO3 — CID 110884966

IUPAC[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccc(CO)cc2)cc1)N1CCCC1
InChIInChI=1S/C19H21NO3/c21-13-15-5-9-18(10-6-15)23-14-16-3-7-17(8-4-16)19(22)20-11-1-2-12-20/h3-10,21H,1-2,11-14H2
InChIKeyHFTRYQJMDZPZBG-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.99
Rot. Bonds5

About [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 110884966) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID110884966
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccc(CO)cc2)cc1)N1CCCC1
InChIInChI=1S/C19H21NO3/c21-13-15-5-9-18(10-6-15)23-14-16-3-7-17(8-4-16)19(22)20-11-1-2-12-20/h3-10,21H,1-2,11-14H2
InChIKeyHFTRYQJMDZPZBG-UHFFFAOYSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 51190549
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
[4-[(7-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)oxymethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 142911923
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 110884966) is [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(COc2ccc(CO)cc2)cc1)N1CCCC1.
What is the InChIKey of [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HFTRYQJMDZPZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-13-15-5-9-18(10-6-15)23-14-16-3-7-17(8-4-16)19(22)20-11-1-2-12-20/h3-10,21H,1-2,11-14H2.
What are the key properties of [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110884966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).