(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol

C16H18O2S — CID 106848346

IUPAC(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
SMILESCCSc1ccc(C(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C16H18O2S/c1-3-19-15-9-7-12(8-10-15)16(17)13-5-4-6-14(11-13)18-2/h4-11,16-17H,3H2,1-2H3
InChIKeyUSALEMWEKITFTD-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.89
Rot. Bonds5

About (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol

(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol (PubChem CID 106848346) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
PubChem CID106848346
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
SMILESCCSc1ccc(C(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C16H18O2S/c1-3-19-15-9-7-12(8-10-15)16(17)13-5-4-6-14(11-13)18-2/h4-11,16-17H,3H2,1-2H3
InChIKeyUSALEMWEKITFTD-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(3-methoxyphenyl)ethyl]-3-methoxybenzene
CID 101140559
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol?
The IUPAC name of (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol (CID 106848346) is (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol is CCSc1ccc(C(O)c2cccc(OC)c2)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol?
The InChIKey is USALEMWEKITFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-3-19-15-9-7-12(8-10-15)16(17)13-5-4-6-14(11-13)18-2/h4-11,16-17H,3H2,1-2H3.
What are the key properties of (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol?
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol has a molecular weight of 274.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 106848346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).