[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone

C20H23NO3 — CID 112806434

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cc(C)ccc2O)cc1
InChIInChI=1S/C20H23NO3/c1-3-24-16-9-7-15(8-10-16)18-5-4-12-21(18)20(23)17-13-14(2)6-11-19(17)22/h6-11,13,18,22H,3-5,12H2,1-2H3
InChIKeyJIUCJJXRCRTUGP-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.08
Rot. Bonds4

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 112806434) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
PubChem CID112806434
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cc(C)ccc2O)cc1
InChIInChI=1S/C20H23NO3/c1-3-24-16-9-7-15(8-10-16)18-5-4-12-21(18)20(23)17-13-14(2)6-11-19(17)22/h6-11,13,18,22H,3-5,12H2,1-2H3
InChIKeyJIUCJJXRCRTUGP-UHFFFAOYSA-N
XLogP4.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86911368
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone (CID 112806434) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone is CCOc1ccc(C2CCCN2C(=O)c2cc(C)ccc2O)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is JIUCJJXRCRTUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-24-16-9-7-15(8-10-16)18-5-4-12-21(18)20(23)17-13-14(2)6-11-19(17)22/h6-11,13,18,22H,3-5,12H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 112806434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).