1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

C33H36N2O3 — CID 22967926

IUPAC1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(C2=C(c3cn(CC(O)CN4CCCC4)c4ccccc34)CCc3cc(OC)ccc32)cc1
InChIInChI=1S/C33H36N2O3/c1-37-26-12-9-23(10-13-26)33-28-16-14-27(38-2)19-24(28)11-15-30(33)31-22-35(32-8-4-3-7-29(31)32)21-25(36)20-34-17-5-6-18-34/h3-4,7-10,12-14,16,19,22,25,36H,5-6,11,15,17-18,20-21H2,1-2H3
InChIKeyRBYUSYPYBQASSJ-UHFFFAOYSA-N
MW508.66 g/mol
LogP6.02
Rot. Bonds8

About 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 22967926) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID22967926
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC Name1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(C2=C(c3cn(CC(O)CN4CCCC4)c4ccccc34)CCc3cc(OC)ccc32)cc1
InChIInChI=1S/C33H36N2O3/c1-37-26-12-9-23(10-13-26)33-28-16-14-27(38-2)19-24(28)11-15-30(33)31-22-35(32-8-4-3-7-29(31)32)21-25(36)20-34-17-5-6-18-34/h3-4,7-10,12-14,16,19,22,25,36H,5-6,11,15,17-18,20-21H2,1-2H3
InChIKeyRBYUSYPYBQASSJ-UHFFFAOYSA-N
XLogP6.02
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (CID 22967926) is 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(C2=C(c3cn(CC(O)CN4CCCC4)c4ccccc34)CCc3cc(OC)ccc32)cc1.
What is the InChIKey of 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is RBYUSYPYBQASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-37-26-12-9-23(10-13-26)33-28-16-14-27(38-2)19-24(28)11-15-30(33)31-22-35(32-8-4-3-7-29(31)32)21-25(36)20-34-17-5-6-18-34/h3-4,7-10,12-14,16,19,22,25,36H,5-6,11,15,17-18,20-21H2,1-2H3.
What are the key properties of 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 508.66 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalen-2-yl]indol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 22967926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).