(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol

C14H16O2S — CID 97293006

IUPAC(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
SMILESCCSc1ccc([C@H](O)c2ccc(C)o2)cc1
InChIInChI=1S/C14H16O2S/c1-3-17-12-7-5-11(6-8-12)14(15)13-9-4-10(2)16-13/h4-9,14-15H,3H2,1-2H3/t14-/m0/s1
InChIKeyIPOUYTUTCXSNKJ-AWEZNQCLSA-N
MW248.35 g/mol
LogP3.78
Rot. Bonds4

About (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol

(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol (PubChem CID 97293006) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
PubChem CID97293006
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
SMILESCCSc1ccc([C@H](O)c2ccc(C)o2)cc1
InChIInChI=1S/C14H16O2S/c1-3-17-12-7-5-11(6-8-12)14(15)13-9-4-10(2)16-13/h4-9,14-15H,3H2,1-2H3/t14-/m0/s1
InChIKeyIPOUYTUTCXSNKJ-AWEZNQCLSA-N
XLogP3.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
CID 97292896
(R)-(4-ethylsulfanylphenyl)-(furan-2-yl)methanol
CID 97292959
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
CID 106848268
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128664
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
CID 91656275
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848301
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292

Frequently Asked Questions

What is the IUPAC name of (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol?
The IUPAC name of (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol (CID 97293006) is (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol?
The canonical SMILES for (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol is CCSc1ccc([C@H](O)c2ccc(C)o2)cc1.
What is the InChIKey of (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol?
The InChIKey is IPOUYTUTCXSNKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O2S/c1-3-17-12-7-5-11(6-8-12)14(15)13-9-4-10(2)16-13/h4-9,14-15H,3H2,1-2H3/t14-/m0/s1.
What are the key properties of (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol?
(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol has a molecular weight of 248.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 97293006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).