(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one

C18H16O4S — CID 2354028

IUPAC(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
SMILESO=C(C[C@H](SCc1ccco1)c1ccc(O)cc1)c1ccco1
InChIInChI=1S/C18H16O4S/c19-14-7-5-13(6-8-14)18(23-12-15-3-1-9-21-15)11-16(20)17-4-2-10-22-17/h1-10,18-19H,11-12H2/t18-/m0/s1
InChIKeyNTLRXWCBJRMBSY-SFHVURJKSA-N
MW328.39 g/mol
LogP4.83
Rot. Bonds7

About (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one

(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 2354028) has the molecular formula C18H16O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID2354028
Molecular FormulaC18H16O4S
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Name(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
SMILESO=C(C[C@H](SCc1ccco1)c1ccc(O)cc1)c1ccco1
InChIInChI=1S/C18H16O4S/c19-14-7-5-13(6-8-14)18(23-12-15-3-1-9-21-15)11-16(20)17-4-2-10-22-17/h1-10,18-19H,11-12H2/t18-/m0/s1
InChIKeyNTLRXWCBJRMBSY-SFHVURJKSA-N
XLogP4.83
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one
CID 1036551
(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-pyridin-4-ylpropan-1-one
CID 2318138
2-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylacetic acid
CID 71680534
(3S)-3-(4-fluorophenyl)-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
CID 2147379
2-acetamido-3-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylpropanoic acid
CID 4055211
4-(furan-2-ylmethyl)phenol
CID 11367276
(3S)-3-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 703237
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
(Z,5R,6S)-6-(furan-2-ylmethylsulfanyl)-5-hydroxy-9-phenylnon-7-enoic acid
CID 70487172
3-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 3423254
2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
CID 75520332
furan-2-ylmethylsulfanylformic acid
CID 87843424

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one (CID 2354028) is (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one is O=C(C[C@H](SCc1ccco1)c1ccc(O)cc1)c1ccco1.
What is the InChIKey of (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is NTLRXWCBJRMBSY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16O4S/c19-14-7-5-13(6-8-14)18(23-12-15-3-1-9-21-15)11-16(20)17-4-2-10-22-17/h1-10,18-19H,11-12H2/t18-/m0/s1.
What are the key properties of (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one?
(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 328.39 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 2354028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).