2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol

C23H28N2O2 — CID 15925647

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
SMILESCc1c(-c2ccc(O)cc2)n(CCCCN2CCCC2)c2ccc(O)cc12
InChIInChI=1S/C23H28N2O2/c1-17-21-16-20(27)10-11-22(21)25(15-5-4-14-24-12-2-3-13-24)23(17)18-6-8-19(26)9-7-18/h6-11,16,26-27H,2-5,12-15H2,1H3
InChIKeyHXMFAJLFOINRBE-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.90
Rot. Bonds6

About 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol

2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol (PubChem CID 15925647) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
PubChem CID15925647
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
SMILESCc1c(-c2ccc(O)cc2)n(CCCCN2CCCC2)c2ccc(O)cc12
InChIInChI=1S/C23H28N2O2/c1-17-21-16-20(27)10-11-22(21)25(15-5-4-14-24-12-2-3-13-24)23(17)18-6-8-19(26)9-7-18/h6-11,16,26-27H,2-5,12-15H2,1H3
InChIKeyHXMFAJLFOINRBE-UHFFFAOYSA-N
XLogP4.90
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-3-methyl-1-(8-pyrrolidin-1-yloctyl)indol-5-ol
CID 15925649
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 141453727
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 15925637
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
CID 54515191
2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol
CID 13408392
1-ethyl-4-[4-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]butyl]piperazine-2,3-dione
CID 141451332
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;propanedioic acid
CID 25207257
2,3-dihydroisoindol-1-one;2-(4-hydroxyphenyl)-3-methyl-1-pentylindol-5-ol
CID 23041892
3-methyl-2-(4-phenylselanylphenyl)-1-[6-(propan-2-ylamino)hexyl]indol-5-ol
CID 18984812
4-[(2-acetamidoethylamino)methyl]-N-[4-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]butyl]benzamide
CID 44581637
methyl 3,4,5-trihydroxy-6-[4-[5-hydroxy-3-methyl-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenoxy]oxane-2-carboxylate
CID 18731801

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol (CID 15925647) is 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol is Cc1c(-c2ccc(O)cc2)n(CCCCN2CCCC2)c2ccc(O)cc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol?
The InChIKey is HXMFAJLFOINRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-21-16-20(27)10-11-22(21)25(15-5-4-14-24-12-2-3-13-24)23(17)18-6-8-19(26)9-7-18/h6-11,16,26-27H,2-5,12-15H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol?
2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol has a molecular weight of 364.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol is sourced from PubChem (CID 15925647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).