(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C14H19NO4 — CID 66261492

IUPAC(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CC[C@@H](O)C2)ccc1OC
InChIInChI=1S/C14H19NO4/c1-3-19-13-8-10(4-5-12(13)18-2)14(17)15-7-6-11(16)9-15/h4-5,8,11,16H,3,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyIFVDSZRVNFPEPV-LLVKDONJSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66261492) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66261492
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CC[C@@H](O)C2)ccc1OC
InChIInChI=1S/C14H19NO4/c1-3-19-13-8-10(4-5-12(13)18-2)14(17)15-7-6-11(16)9-15/h4-5,8,11,16H,3,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyIFVDSZRVNFPEPV-LLVKDONJSA-N
XLogP1.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 103745555
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66261492) is (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCOc1cc(C(=O)N2CC[C@@H](O)C2)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is IFVDSZRVNFPEPV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-13-8-10(4-5-12(13)18-2)14(17)15-7-6-11(16)9-15/h4-5,8,11,16H,3,6-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66261492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).