(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol

C23H29NO2 — CID 92720780

IUPAC(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
SMILESC=CC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-3-15-23(25,20-11-13-21(26-2)14-12-20)22(18-24-16-7-8-17-24)19-9-5-4-6-10-19/h3-6,9-14,22,25H,1,7-8,15-18H2,2H3/t22-,23-/m1/s1
InChIKeyQQBXADRWZVGAIA-DHIUTWEWSA-N
MW351.49 g/mol
LogP4.34
Rot. Bonds8

About (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol

(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol (PubChem CID 92720780) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
PubChem CID92720780
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
SMILESC=CC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-3-15-23(25,20-11-13-21(26-2)14-12-20)22(18-24-16-7-8-17-24)19-9-5-4-6-10-19/h3-6,9-14,22,25H,1,7-8,15-18H2,2H3/t22-,23-/m1/s1
InChIKeyQQBXADRWZVGAIA-DHIUTWEWSA-N
XLogP4.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701923
4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701926
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
CID 92701916
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol?
The IUPAC name of (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol (CID 92720780) is (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol.
What is the SMILES notation for (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol?
The canonical SMILES for (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol is C=CC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol?
The InChIKey is QQBXADRWZVGAIA-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-15-23(25,20-11-13-21(26-2)14-12-20)22(18-24-16-7-8-17-24)19-9-5-4-6-10-19/h3-6,9-14,22,25H,1,7-8,15-18H2,2H3/t22-,23-/m1/s1.
What are the key properties of (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol?
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol has a molecular weight of 351.49 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol is sourced from PubChem (CID 92720780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).