3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol

C17H20O2S — CID 115803243

IUPAC3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccccc2SC)cc1
InChIInChI=1S/C17H20O2S/c1-19-14-10-7-13(8-11-14)9-12-16(18)15-5-3-4-6-17(15)20-2/h3-8,10-11,16,18H,9,12H2,1-2H3
InChIKeyIKBTUEGSTYRXDW-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.08
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol

3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol (PubChem CID 115803243) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
PubChem CID115803243
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccccc2SC)cc1
InChIInChI=1S/C17H20O2S/c1-19-14-10-7-13(8-11-14)9-12-16(18)15-5-3-4-6-17(15)20-2/h3-8,10-11,16,18H,9,12H2,1-2H3
InChIKeyIKBTUEGSTYRXDW-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
4,4,4-trifluoro-1-(2-methylsulfanylphenyl)butan-1-ol
CID 115808769
1-methoxy-4-[1-(2-methylsulfanylphenyl)prop-2-enoxymethyl]benzene
CID 19986992

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol (CID 115803243) is 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol is COc1ccc(CCC(O)c2ccccc2SC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is IKBTUEGSTYRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-19-14-10-7-13(8-11-14)9-12-16(18)15-5-3-4-6-17(15)20-2/h3-8,10-11,16,18H,9,12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol?
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 288.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 115803243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).