(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol

C13H14O2S — CID 97292959

IUPAC(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol
SMILESCCSc1ccc([C@@H](O)c2ccco2)cc1
InChIInChI=1S/C13H14O2S/c1-2-16-11-7-5-10(6-8-11)13(14)12-4-3-9-15-12/h3-9,13-14H,2H2,1H3/t13-/m1/s1
InChIKeyMTNIOLXCLMZAAZ-CYBMUJFWSA-N
MW234.32 g/mol
LogP3.47
Rot. Bonds4

About (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol

(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol (PubChem CID 97292959) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol
PubChem CID97292959
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol
SMILESCCSc1ccc([C@@H](O)c2ccco2)cc1
InChIInChI=1S/C13H14O2S/c1-2-16-11-7-5-10(6-8-11)13(14)12-4-3-9-15-12/h3-9,13-14H,2H2,1H3/t13-/m1/s1
InChIKeyMTNIOLXCLMZAAZ-CYBMUJFWSA-N
XLogP3.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
CID 97293006
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281
(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848301
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
CID 106848268
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
furan-2-yl-(2,3,4,5,6-pentamethylphenyl)methanol
CID 61099242

Frequently Asked Questions

What is the IUPAC name of (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol?
The IUPAC name of (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol (CID 97292959) is (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol.
What is the SMILES notation for (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol?
The canonical SMILES for (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol is CCSc1ccc([C@@H](O)c2ccco2)cc1.
What is the InChIKey of (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol?
The InChIKey is MTNIOLXCLMZAAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14O2S/c1-2-16-11-7-5-10(6-8-11)13(14)12-4-3-9-15-12/h3-9,13-14H,2H2,1H3/t13-/m1/s1.
What are the key properties of (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol?
(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol has a molecular weight of 234.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol is sourced from PubChem (CID 97292959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).