(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol

C18H18ClNO3 — CID 40501058

IUPAC(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
SMILESOCc1cn(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H18ClNO3/c19-14-5-7-16(8-6-14)23-12-15(22)10-20-9-13(11-21)17-3-1-2-4-18(17)20/h1-9,15,21-22H,10-12H2/t15-/m1/s1
InChIKeySOUYIXHMXMRWFN-OAHLLOKOSA-N
MW331.80 g/mol
LogP3.23
Rot. Bonds6

About (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol

(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol (PubChem CID 40501058) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
PubChem CID40501058
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
SMILESOCc1cn(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H18ClNO3/c19-14-5-7-16(8-6-14)23-12-15(22)10-20-9-13(11-21)17-3-1-2-4-18(17)20/h1-9,15,21-22H,10-12H2/t15-/m1/s1
InChIKeySOUYIXHMXMRWFN-OAHLLOKOSA-N
XLogP3.23
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
methyl 4-[(2S)-3-(3-formylindol-1-yl)-2-hydroxypropoxy]benzoate
CID 40542272
tert-butyl 1-[2-hydroxy-3-(4-methylphenoxy)propyl]indole-3-carboxylate
CID 70966463
[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methanol
CID 66399919
1-(4-chlorophenoxy)-3-(2-imino-3-prop-2-enylbenzimidazol-1-yl)propan-2-ol
CID 2858826
(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
CID 828194
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223809
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223805
(2R)-1-(4-chlorophenoxy)-3-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)propan-2-ol
CID 7361872
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 1118373
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]indole-3-carbaldehyde
CID 40542280

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol (CID 40501058) is (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol is OCc1cn(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol?
The InChIKey is SOUYIXHMXMRWFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-14-5-7-16(8-6-14)23-12-15(22)10-20-9-13(11-21)17-3-1-2-4-18(17)20/h1-9,15,21-22H,10-12H2/t15-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol?
(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol has a molecular weight of 331.80 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 40501058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).