(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone

C20H23NO3 — CID 70716556

IUPAC(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2Oc2ccccc2)CC1(C)O
InChIInChI=1S/C20H23NO3/c1-19(2)13-21(14-20(19,3)23)18(22)16-11-7-8-12-17(16)24-15-9-5-4-6-10-15/h4-12,23H,13-14H2,1-3H3
InChIKeyPZEWHHBLJORPNZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.71
Rot. Bonds3

About (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone

(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone (PubChem CID 70716556) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
PubChem CID70716556
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2Oc2ccccc2)CC1(C)O
InChIInChI=1S/C20H23NO3/c1-19(2)13-21(14-20(19,3)23)18(22)16-11-7-8-12-17(16)24-15-9-5-4-6-10-15/h4-12,23H,13-14H2,1-3H3
InChIKeyPZEWHHBLJORPNZ-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
CID 90537313
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70760152
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
CID 97125853
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone?
The IUPAC name of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone (CID 70716556) is (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone?
The canonical SMILES for (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone is CC1(C)CN(C(=O)c2ccccc2Oc2ccccc2)CC1(C)O.
What is the InChIKey of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone?
The InChIKey is PZEWHHBLJORPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(2)13-21(14-20(19,3)23)18(22)16-11-7-8-12-17(16)24-15-9-5-4-6-10-15/h4-12,23H,13-14H2,1-3H3.
What are the key properties of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone?
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 70716556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).