(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol

C13H14O2S — CID 97292896

IUPAC(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc([C@@H](O)c2ccc(C)o2)cc1
InChIInChI=1S/C13H14O2S/c1-9-3-8-12(15-9)13(14)10-4-6-11(16-2)7-5-10/h3-8,13-14H,1-2H3/t13-/m1/s1
InChIKeyCMADLLMIYXQIMY-CYBMUJFWSA-N
MW234.32 g/mol
LogP3.39
Rot. Bonds3

About (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol

(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol (PubChem CID 97292896) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
PubChem CID97292896
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc([C@@H](O)c2ccc(C)o2)cc1
InChIInChI=1S/C13H14O2S/c1-9-3-8-12(15-9)13(14)10-4-6-11(16-2)7-5-10/h3-8,13-14H,1-2H3/t13-/m1/s1
InChIKeyCMADLLMIYXQIMY-CYBMUJFWSA-N
XLogP3.39
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
CID 97293006
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
CID 107287144
(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol
CID 97292995
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
CID 91656275
(5-fluoro-3-pyridinyl)-(5-methylfuran-2-yl)methanol
CID 63894041
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198

Frequently Asked Questions

What is the IUPAC name of (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol (CID 97292896) is (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol is CSc1ccc([C@@H](O)c2ccc(C)o2)cc1.
What is the InChIKey of (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is CMADLLMIYXQIMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14O2S/c1-9-3-8-12(15-9)13(14)10-4-6-11(16-2)7-5-10/h3-8,13-14H,1-2H3/t13-/m1/s1.
What are the key properties of (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol?
(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 234.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 97292896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).