(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol

C17H20O2S — CID 106848292

IUPAC(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
SMILESCCSc1ccc(C(O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H20O2S/c1-4-20-14-8-6-13(7-9-14)17(18)15-11-12(2)5-10-16(15)19-3/h5-11,17-18H,4H2,1-3H3
InChIKeyLRXIRSXOHURQPM-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.20
Rot. Bonds5

About (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol

(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol (PubChem CID 106848292) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
PubChem CID106848292
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
SMILESCCSc1ccc(C(O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H20O2S/c1-4-20-14-8-6-13(7-9-14)17(18)15-11-12(2)5-10-16(15)19-3/h5-11,17-18H,4H2,1-3H3
InChIKeyLRXIRSXOHURQPM-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838
(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848301
(2-methoxy-5-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 62503375
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
4-ethylsulfanyl-2-methoxy-1-methylbenzene
CID 91876133
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
CID 106848346
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
CID 106848520
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
methyl 4-[ethylsulfanyl-(2-methoxy-5-methylphenyl)methyl]benzoate
CID 134318373

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol (CID 106848292) is (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol is CCSc1ccc(C(O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is LRXIRSXOHURQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-4-20-14-8-6-13(7-9-14)17(18)15-11-12(2)5-10-16(15)19-3/h5-11,17-18H,4H2,1-3H3.
What are the key properties of (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol?
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 288.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 106848292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).