4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol

C19H23NO2 — CID 70060548

IUPAC4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol
SMILESOc1ccc(CC[C@H]2CC[C@@H](C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C19H23NO2/c21-17-11-7-14(8-12-17)6-9-16-10-13-18(20-16)19(22)15-4-2-1-3-5-15/h1-5,7-8,11-12,16,18-22H,6,9-10,13H2/t16-,18-,19?/m0/s1
InChIKeyFLWWKBVIUMBHIM-SPIBDARASA-N
MW297.40 g/mol
LogP3.18
Rot. Bonds5

About 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol

4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol (PubChem CID 70060548) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol
PubChem CID70060548
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol
SMILESOc1ccc(CC[C@H]2CC[C@@H](C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C19H23NO2/c21-17-11-7-14(8-12-17)6-9-16-10-13-18(20-16)19(22)15-4-2-1-3-5-15/h1-5,7-8,11-12,16,18-22H,6,9-10,13H2/t16-,18-,19?/m0/s1
InChIKeyFLWWKBVIUMBHIM-SPIBDARASA-N
XLogP3.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
CID 144715838
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
[5-[2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 54560286
phenyl-(5-phenylpyrrolidin-2-yl)methanol
CID 70528042
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
N-[2-hydroxy-5-[hydroxy-[5-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]phenyl]formamide
CID 57118675
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-[2-[5-[(3,4-dimethoxyphenyl)-hydroxymethyl]pyrrolidin-2-yl]ethyl]-2-methylsulfanylphenol;hydrochloride
CID 70526632
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol (CID 70060548) is 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol is Oc1ccc(CC[C@H]2CC[C@@H](C(O)c3ccccc3)N2)cc1.
What is the InChIKey of 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol?
The InChIKey is FLWWKBVIUMBHIM-SPIBDARASA-N. The full InChI is InChI=1S/C19H23NO2/c21-17-11-7-14(8-12-17)6-9-16-10-13-18(20-16)19(22)15-4-2-1-3-5-15/h1-5,7-8,11-12,16,18-22H,6,9-10,13H2/t16-,18-,19?/m0/s1.
What are the key properties of 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol?
4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S,5S)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]ethyl]phenol is sourced from PubChem (CID 70060548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).