5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol

C20H20O5S — CID 54465056

IUPAC5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol
SMILESO=S(=O)(CCc1cccc2c(O)cccc12)CC(O)Oc1ccccc1
InChIInChI=1S/C20H20O5S/c21-19-11-5-9-17-15(6-4-10-18(17)19)12-13-26(23,24)14-20(22)25-16-7-2-1-3-8-16/h1-11,20-22H,12-14H2
InChIKeyXEGIFIGOKJLYFK-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.90
Rot. Bonds7

About 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol

5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol (PubChem CID 54465056) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol
PubChem CID54465056
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Name5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol
SMILESO=S(=O)(CCc1cccc2c(O)cccc12)CC(O)Oc1ccccc1
InChIInChI=1S/C20H20O5S/c21-19-11-5-9-17-15(6-4-10-18(17)19)12-13-26(23,24)14-20(22)25-16-7-2-1-3-8-16/h1-11,20-22H,12-14H2
InChIKeyXEGIFIGOKJLYFK-UHFFFAOYSA-N
XLogP2.90
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol
CID 15886157
2-[5-[2-(2-hydroxy-3-phenoxypropyl)sulfonylethyl]naphthalen-1-yl]oxyacetic acid
CID 15453009
2-(3,3-diphenoxypropyl)phenol
CID 66865819
3-ethyl-2-phenoxyphenol
CID 66865882
3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propanoic acid
CID 21310991
1-phenoxy-2-phenylethanol
CID 54118978
3-(4-hydroxynaphthalen-1-yl)propanal
CID 144651527
2-chloro-3-(5-hydroxynaphthalen-1-yl)propanoic acid
CID 83969793
2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate
CID 126487548
3-chloro-1-phenoxypropan-1-ol
CID 154138508
2-(9,9-diphenoxynonyl)phenol
CID 66866947
3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol?
The IUPAC name of 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol (CID 54465056) is 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol.
What is the SMILES notation for 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol?
The canonical SMILES for 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol is O=S(=O)(CCc1cccc2c(O)cccc12)CC(O)Oc1ccccc1.
What is the InChIKey of 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol?
The InChIKey is XEGIFIGOKJLYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5S/c21-19-11-5-9-17-15(6-4-10-18(17)19)12-13-26(23,24)14-20(22)25-16-7-2-1-3-8-16/h1-11,20-22H,12-14H2.
What are the key properties of 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol?
5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol has a molecular weight of 372.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol is sourced from PubChem (CID 54465056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).