1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol

C23H24O3S — CID 70692740

IUPAC1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(SCC(O)COc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24O3S/c1-25-21-11-13-23(14-12-21)27-17-20(24)16-26-22-9-7-19(8-10-22)15-18-5-3-2-4-6-18/h2-14,20,24H,15-17H2,1H3
InChIKeyJVHSNHHDDAJILE-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.82
Rot. Bonds9

About 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol

1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol (PubChem CID 70692740) has the molecular formula C23H24O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol
PubChem CID70692740
Molecular FormulaC23H24O3S
Molecular Weight380.51 g/mol
Exact Mass380.14
IUPAC Name1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(SCC(O)COc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24O3S/c1-25-21-11-13-23(14-12-21)27-17-20(24)16-26-22-9-7-19(8-10-22)15-18-5-3-2-4-6-18/h2-14,20,24H,15-17H2,1H3
InChIKeyJVHSNHHDDAJILE-UHFFFAOYSA-N
XLogP4.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol (CID 70692740) is 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol is COc1ccc(SCC(O)COc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol?
The InChIKey is JVHSNHHDDAJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3S/c1-25-21-11-13-23(14-12-21)27-17-20(24)16-26-22-9-7-19(8-10-22)15-18-5-3-2-4-6-18/h2-14,20,24H,15-17H2,1H3.
What are the key properties of 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol?
1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol has a molecular weight of 380.51 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenoxy)-3-(4-methoxyphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 70692740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).