2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol

C30H34N2O4 — CID 10299856

IUPAC2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol
SMILESCOC1CCCN(CCOc2ccc(Cn3c(-c4ccc(O)cc4)c(C)c4cc(O)ccc43)cc2)C1
InChIInChI=1S/C30H34N2O4/c1-21-28-18-25(34)11-14-29(28)32(30(21)23-7-9-24(33)10-8-23)19-22-5-12-26(13-6-22)36-17-16-31-15-3-4-27(20-31)35-2/h5-14,18,27,33-34H,3-4,15-17,19-20H2,1-2H3
InChIKeyDGCJGWHAWMQGFF-UHFFFAOYSA-N
MW486.61 g/mol
LogP5.57
Rot. Bonds8

About 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol

2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol (PubChem CID 10299856) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol
PubChem CID10299856
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol
SMILESCOC1CCCN(CCOc2ccc(Cn3c(-c4ccc(O)cc4)c(C)c4cc(O)ccc43)cc2)C1
InChIInChI=1S/C30H34N2O4/c1-21-28-18-25(34)11-14-29(28)32(30(21)23-7-9-24(33)10-8-23)19-22-5-12-26(13-6-22)36-17-16-31-15-3-4-27(20-31)35-2/h5-14,18,27,33-34H,3-4,15-17,19-20H2,1-2H3
InChIKeyDGCJGWHAWMQGFF-UHFFFAOYSA-N
XLogP5.57
TPSA67.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
CID 10168648
4-[2-(4-hydroxyphenyl)-3-methyl-1-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]indol-5-yl]phenol
CID 174448619
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;propanedioic acid
CID 25207257
1-[[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3-methylindol-5-ol
CID 121415579
2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;hydrochloride
CID 10301731
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
2-(3-fluoro-4-hydroxyphenyl)-1-[[4-[2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenyl]methyl]-3-methylindol-5-ol
CID 122622103
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
3,4,5-trihydroxy-6-[4-[5-hydroxy-3-methyl-1-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenoxy]oxane-2-carboxylic acid
CID 18731784
2-(2,4-dimethoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10207216

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol (CID 10299856) is 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol is COC1CCCN(CCOc2ccc(Cn3c(-c4ccc(O)cc4)c(C)c4cc(O)ccc43)cc2)C1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol?
The InChIKey is DGCJGWHAWMQGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-21-28-18-25(34)11-14-29(28)32(30(21)23-7-9-24(33)10-8-23)19-22-5-12-26(13-6-22)36-17-16-31-15-3-4-27(20-31)35-2/h5-14,18,27,33-34H,3-4,15-17,19-20H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol?
2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol has a molecular weight of 486.61 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol is sourced from PubChem (CID 10299856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).