3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol

C18H22O4S — CID 13482580

IUPAC3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol
SMILESO=S(=O)(CCC(O)c1ccccc1)CCC(O)c1ccccc1
InChIInChI=1S/C18H22O4S/c19-17(15-7-3-1-4-8-15)11-13-23(21,22)14-12-18(20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyKWAAHJSDKCGXLC-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.65
Rot. Bonds8

About 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol

3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol (PubChem CID 13482580) has the molecular formula C18H22O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol
PubChem CID13482580
Molecular FormulaC18H22O4S
Molecular Weight334.44 g/mol
Exact Mass334.12
IUPAC Name3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol
SMILESO=S(=O)(CCC(O)c1ccccc1)CCC(O)c1ccccc1
InChIInChI=1S/C18H22O4S/c19-17(15-7-3-1-4-8-15)11-13-23(21,22)14-12-18(20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyKWAAHJSDKCGXLC-UHFFFAOYSA-N
XLogP2.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol (CID 13482580) is 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol is O=S(=O)(CCC(O)c1ccccc1)CCC(O)c1ccccc1.
What is the InChIKey of 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol?
The InChIKey is KWAAHJSDKCGXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4S/c19-17(15-7-3-1-4-8-15)11-13-23(21,22)14-12-18(20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2.
What are the key properties of 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol?
3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol has a molecular weight of 334.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol is sourced from PubChem (CID 13482580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).