1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol

C22H22O3S — CID 70682177

IUPAC1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol
SMILESCOc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22O3S/c1-24-20-11-13-22(14-12-20)26-16-19(23)15-25-21-9-7-18(8-10-21)17-5-3-2-4-6-17/h2-14,19,23H,15-16H2,1H3
InChIKeyWSQRYGIXUAYHBO-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.89
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol

1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 70682177) has the molecular formula C22H22O3S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol
PubChem CID70682177
Molecular FormulaC22H22O3S
Molecular Weight366.48 g/mol
Exact Mass366.13
IUPAC Name1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol
SMILESCOc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22O3S/c1-24-20-11-13-22(14-12-20)26-16-19(23)15-25-21-9-7-18(8-10-21)17-5-3-2-4-6-17/h2-14,19,23H,15-16H2,1H3
InChIKeyWSQRYGIXUAYHBO-UHFFFAOYSA-N
XLogP4.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol (CID 70682177) is 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol is COc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is WSQRYGIXUAYHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3S/c1-24-20-11-13-22(14-12-20)26-16-19(23)15-25-21-9-7-18(8-10-21)17-5-3-2-4-6-17/h2-14,19,23H,15-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol?
1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 366.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 70682177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).