(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol

C21H25NO3 — CID 10427312

IUPAC(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol
SMILESCCO[C@H](CO)Cc1ccc(OCCn2ccc3ccccc32)cc1
InChIInChI=1S/C21H25NO3/c1-2-24-20(16-23)15-17-7-9-19(10-8-17)25-14-13-22-12-11-18-5-3-4-6-21(18)22/h3-12,20,23H,2,13-16H2,1H3/t20-/m0/s1
InChIKeyXEUKCMPVPUVZEW-FQEVSTJZSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds9

About (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol

(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol (PubChem CID 10427312) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol
PubChem CID10427312
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol
SMILESCCO[C@H](CO)Cc1ccc(OCCn2ccc3ccccc32)cc1
InChIInChI=1S/C21H25NO3/c1-2-24-20(16-23)15-17-7-9-19(10-8-17)25-14-13-22-12-11-18-5-3-4-6-21(18)22/h3-12,20,23H,2,13-16H2,1H3/t20-/m0/s1
InChIKeyXEUKCMPVPUVZEW-FQEVSTJZSA-N
XLogP3.66
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole
CID 71073417
(2S)-3-[4-(2-indol-1-ylethoxy)phenyl]-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 25111028
2-[[4-(2-indol-1-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 11752418
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile
CID 11162092
2-[(4-ethoxyphenyl)methyl]-3-[(2-indol-1-ylacetyl)amino]propanoic acid
CID 119232177
1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
CID 62025183
3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
CID 110831226
(2R)-1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 129457750
2-ethoxy-3-[4-[2-(2-formylpyrrol-1-yl)ethoxy]phenyl]propanoate
CID 22168739
ethyl 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoate
CID 160733152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol?
The IUPAC name of (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol (CID 10427312) is (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol?
The canonical SMILES for (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol is CCO[C@H](CO)Cc1ccc(OCCn2ccc3ccccc32)cc1.
What is the InChIKey of (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol?
The InChIKey is XEUKCMPVPUVZEW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-24-20(16-23)15-17-7-9-19(10-8-17)25-14-13-22-12-11-18-5-3-4-6-21(18)22/h3-12,20,23H,2,13-16H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol?
(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 10427312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).