(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol

C19H23NO3 — CID 124843631

IUPAC(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1ccc(OCCN2CC[C@](O)(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3/c1-22-17-7-9-18(10-8-17)23-14-13-20-12-11-19(21,15-20)16-5-3-2-4-6-16/h2-10,21H,11-15H2,1H3/t19-/m1/s1
InChIKeyDZIUGSLOMOFCCU-LJQANCHMSA-N
MW313.40 g/mol
LogP2.67
Rot. Bonds6

About (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol

(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol (PubChem CID 124843631) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
PubChem CID124843631
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1ccc(OCCN2CC[C@](O)(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3/c1-22-17-7-9-18(10-8-17)23-14-13-20-12-11-19(21,15-20)16-5-3-2-4-6-16/h2-10,21H,11-15H2,1H3/t19-/m1/s1
InChIKeyDZIUGSLOMOFCCU-LJQANCHMSA-N
XLogP2.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 11048042
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol (CID 124843631) is (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol is COc1ccc(OCCN2CC[C@](O)(c3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is DZIUGSLOMOFCCU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-17-7-9-18(10-8-17)23-14-13-20-12-11-19(21,15-20)16-5-3-2-4-6-16/h2-10,21H,11-15H2,1H3/t19-/m1/s1.
What are the key properties of (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol?
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 313.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 124843631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).