5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol

C20H20O5S — CID 15886157

IUPAC5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol
SMILESO=S(=O)(Cc1cccc2c(O)cccc12)CC(O)COc1ccccc1
InChIInChI=1S/C20H20O5S/c21-16(12-25-17-7-2-1-3-8-17)14-26(23,24)13-15-6-4-10-19-18(15)9-5-11-20(19)22/h1-11,16,21-22H,12-14H2
InChIKeyOELIRNXXUYIDEQ-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.90
Rot. Bonds7

About 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol

5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol (PubChem CID 15886157) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol
PubChem CID15886157
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Name5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol
SMILESO=S(=O)(Cc1cccc2c(O)cccc12)CC(O)COc1ccccc1
InChIInChI=1S/C20H20O5S/c21-16(12-25-17-7-2-1-3-8-17)14-26(23,24)13-15-6-4-10-19-18(15)9-5-11-20(19)22/h1-11,16,21-22H,12-14H2
InChIKeyOELIRNXXUYIDEQ-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

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Related Compounds

1-[(3-fluorophenyl)methylsulfonyl]-3-phenoxypropan-2-ol
CID 47560288
2-[5-[2-(2-hydroxy-3-phenoxypropyl)sulfonylethyl]naphthalen-1-yl]oxyacetic acid
CID 15453009
2-hydroxy-3-phenoxypropane-1-sulfonic acid
CID 10149155
5-[2-(2-hydroxy-2-phenoxyethyl)sulfonylethyl]naphthalen-1-ol
CID 54465056
(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
CID 40562244
(2R)-1-benzylsulfonyl-3-[4-(trifluoromethoxy)phenoxy]propan-2-ol
CID 6975397
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylsulfonyl]propan-2-ol
CID 47561427
(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
CID 685739
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol?
The IUPAC name of 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol (CID 15886157) is 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol.
What is the SMILES notation for 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol?
The canonical SMILES for 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol is O=S(=O)(Cc1cccc2c(O)cccc12)CC(O)COc1ccccc1.
What is the InChIKey of 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol?
The InChIKey is OELIRNXXUYIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5S/c21-16(12-25-17-7-2-1-3-8-17)14-26(23,24)13-15-6-4-10-19-18(15)9-5-11-20(19)22/h1-11,16,21-22H,12-14H2.
What are the key properties of 5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol?
5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]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-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol is sourced from PubChem (CID 15886157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).