3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol

C23H29NO — CID 58218712

IUPAC3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol
SMILESC=C(O)CC1CCCN1c1ccc(C(CC)c2ccccc2C)cc1
InChIInChI=1S/C23H29NO/c1-4-22(23-10-6-5-8-17(23)2)19-11-13-20(14-12-19)24-15-7-9-21(24)16-18(3)25/h5-6,8,10-14,21-22,25H,3-4,7,9,15-16H2,1-2H3
InChIKeyZLABPHWCUFNPEE-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.97
Rot. Bonds6

About 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol

3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol (PubChem CID 58218712) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol
PubChem CID58218712
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol
SMILESC=C(O)CC1CCCN1c1ccc(C(CC)c2ccccc2C)cc1
InChIInChI=1S/C23H29NO/c1-4-22(23-10-6-5-8-17(23)2)19-11-13-20(14-12-19)24-15-7-9-21(24)16-18(3)25/h5-6,8,10-14,21-22,25H,3-4,7,9,15-16H2,1-2H3
InChIKeyZLABPHWCUFNPEE-UHFFFAOYSA-N
XLogP5.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-[(2-methoxyphenyl)-(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218676
trimethyl-[3-(1-phenylpyrrolidin-2-yl)prop-1-en-2-yl]silane
CID 135002130
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
CID 101376496
2-[1-[4-(2-methylbenzoyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 67085733
(1S)-1-[4-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 114066064
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
(1S)-1-[4-(2-ethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114066011
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol?
The IUPAC name of 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol (CID 58218712) is 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol.
What is the SMILES notation for 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol?
The canonical SMILES for 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol is C=C(O)CC1CCCN1c1ccc(C(CC)c2ccccc2C)cc1.
What is the InChIKey of 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol?
The InChIKey is ZLABPHWCUFNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-4-22(23-10-6-5-8-17(23)2)19-11-13-20(14-12-19)24-15-7-9-21(24)16-18(3)25/h5-6,8,10-14,21-22,25H,3-4,7,9,15-16H2,1-2H3.
What are the key properties of 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol?
3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol has a molecular weight of 335.49 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[1-(2-methylphenyl)propyl]phenyl]pyrrolidin-2-yl]prop-1-en-2-ol is sourced from PubChem (CID 58218712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).