1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol

C22H26N2O3 — CID 651513

IUPAC1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-26-20-8-6-17(7-9-20)22-14-18-4-2-3-5-21(18)24(22)16-19(25)15-23-10-12-27-13-11-23/h2-9,14,19,25H,10-13,15-16H2,1H3
InChIKeyNBHGGYKNHYVBPJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 651513) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID651513
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-26-20-8-6-17(7-9-20)22-14-18-4-2-3-5-21(18)24(22)16-19(25)15-23-10-12-27-13-11-23/h2-9,14,19,25H,10-13,15-16H2,1H3
InChIKeyNBHGGYKNHYVBPJ-UHFFFAOYSA-N
XLogP3.01
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
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3-[(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoro-propan-1-ol
CID 121410551
(1R,3R)-1-[2,6-difluoro-4-(1-propylazetidin-3-yl)oxyphenyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121410553
CID 121410624
CID 121410624
(2R)-3-[(1R,3R)-1-[2,6-difluoro-4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol
CID 121410628

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 651513) is 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol is COc1ccc(-c2cc3ccccc3n2CC(O)CN2CCOCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is NBHGGYKNHYVBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-8-6-17(7-9-20)22-14-18-4-2-3-5-21(18)24(22)16-19(25)15-23-10-12-27-13-11-23/h2-9,14,19,25H,10-13,15-16H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 366.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 651513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).