3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol

C90H99N3O7 — CID 157236679

IUPAC3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol
SMILESCC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)C1.O=C(O)CC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)C2)cc1)c1ccccc1.OCCC/C(=C(/c1ccc(C2CCN(C3CC3)C2)cc1)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C30H31NO3.C30H33NO2.C30H35NO2/c32-27-14-10-24(11-15-27)30(28(16-17-29(33)34)22-4-2-1-3-5-22)23-8-6-21(7-9-23)25-18-19-31(20-25)26-12-13-26;32-19-5-10-29(23-6-2-1-3-7-23)30(25-8-4-9-28(33)20-25)24-13-11-22(12-14-24)26-17-18-31(21-26)27-15-16-27;1-22(2)31-18-17-27(21-31)23-13-15-25(16-14-23)30(26-10-6-11-28(33)20-26)29(12-7-19-32)24-8-4-3-5-9-24/h1-11,14-15,25-26,32H,12-13,16-20H2,(H,33,34);1-4,6-9,11-14,20,26-27,32-33H,5,10,15-19,21H2;3-6,8-11,13-16,20,22,27,32-33H,7,12,17-19,21H2,1-2H3/b30-28+;2*30-29+
InChIKeyAUSGQPJIZFEORG-CEQBGYOHSA-N
MW1334.80 g/mol
LogP18.56
Rot. Bonds24

About 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol

3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol (PubChem CID 157236679) has the molecular formula C90H99N3O7 and a molecular weight of 1334.80 g/mol. Its IUPAC name is 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol
PubChem CID157236679
Molecular FormulaC90H99N3O7
Molecular Weight1334.80 g/mol
Exact Mass1333.75
IUPAC Name3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol
SMILESCC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)C1.O=C(O)CC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)C2)cc1)c1ccccc1.OCCC/C(=C(/c1ccc(C2CCN(C3CC3)C2)cc1)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C30H31NO3.C30H33NO2.C30H35NO2/c32-27-14-10-24(11-15-27)30(28(16-17-29(33)34)22-4-2-1-3-5-22)23-8-6-21(7-9-23)25-18-19-31(20-25)26-12-13-26;32-19-5-10-29(23-6-2-1-3-7-23)30(25-8-4-9-28(33)20-25)24-13-11-22(12-14-24)26-17-18-31(21-26)27-15-16-27;1-22(2)31-18-17-27(21-31)23-13-15-25(16-14-23)30(26-10-6-11-28(33)20-26)29(12-7-19-32)24-8-4-3-5-9-24/h1-11,14-15,25-26,32H,12-13,16-20H2,(H,33,34);1-4,6-9,11-14,20,26-27,32-33H,5,10,15-19,21H2;3-6,8-11,13-16,20,22,27,32-33H,7,12,17-19,21H2,1-2H3/b30-28+;2*30-29+
InChIKeyAUSGQPJIZFEORG-CEQBGYOHSA-N
XLogP18.56
TPSA148.17 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.80
LogP ≤ 518.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol with MolForge

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Related Compounds

3-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 163533301
3-[(E)-2-cyclohexa-1,5-dien-3-yn-1-yl-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxypent-1-enyl]phenol
CID 166897018
4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-1-enyl]phenol;methane;methyl (Z)-5-(4-cyclobutylphenyl)-5-(4-methylphenyl)-4-phenylpent-4-enoate;methyl (Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(1-propan-2-ylazetidin-3-yl)phenyl]pent-4-enoate
CID 158843272
(E)-5-(4-nitrophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol
CID 138692063
4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol
CID 162672808
(E)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-[4-(cyclopropylsulfanylamino)phenyl]-4-phenylpent-4-en-1-ol
CID 138614584
3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)cyclohexa-2,4-dien-1-yl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493139
4-[2-(2,4-difluorophenyl)-5-hydroxy-1-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-1-enyl]phenol
CID 176732457
(E)-5-(4-bromophenyl)-5-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-4-phenylpent-4-en-1-ol;(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-4-en-1-ol;tert-butyl 4-[2-[4-[(Z)-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 158089218
4-[1-[4-(1,1-dimethylazetidin-1-ium-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 176732433
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030
(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
CID 159115330

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol?
The IUPAC name of 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol (CID 157236679) is 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol?
The canonical SMILES for 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol is CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)C1.O=C(O)CC/C(=C(\c1ccc(O)cc1)c1ccc(C2CCN(C3CC3)C2)cc1)c1ccccc1.OCCC/C(=C(/c1ccc(C2CCN(C3CC3)C2)cc1)c1cccc(O)c1)c1ccccc1.
What is the InChIKey of 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol?
The InChIKey is AUSGQPJIZFEORG-CEQBGYOHSA-N. The full InChI is InChI=1S/C30H31NO3.C30H33NO2.C30H35NO2/c32-27-14-10-24(11-15-27)30(28(16-17-29(33)34)22-4-2-1-3-5-22)23-8-6-21(7-9-23)25-18-19-31(20-25)26-12-13-26;32-19-5-10-29(23-6-2-1-3-7-23)30(25-8-4-9-28(33)20-25)24-13-11-22(12-14-24)26-17-18-31(21-26)27-15-16-27;1-22(2)31-18-17-27(21-31)23-13-15-25(16-14-23)30(26-10-6-11-28(33)20-26)29(12-7-19-32)24-8-4-3-5-9-24/h1-11,14-15,25-26,32H,12-13,16-20H2,(H,33,34);1-4,6-9,11-14,20,26-27,32-33H,5,10,15-19,21H2;3-6,8-11,13-16,20,22,27,32-33H,7,12,17-19,21H2,1-2H3/b30-28+;2*30-29+.
What are the key properties of 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol?
3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol has a molecular weight of 1334.80 g/mol, XLogP of 18.56, 24 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 157236679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).