3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol

C14H15BrO3S — CID 79682209

IUPAC3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H15BrO3S/c15-11-3-1-10(2-4-11)14-6-5-13(18-14)9-19-8-12(17)7-16/h1-6,12,16-17H,7-9H2
InChIKeyQXYGTMWGODUJRT-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.30
Rot. Bonds6

About 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol

3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol (PubChem CID 79682209) has the molecular formula C14H15BrO3S and a molecular weight of 343.24 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
PubChem CID79682209
Molecular FormulaC14H15BrO3S
Molecular Weight343.24 g/mol
Exact Mass341.99
IUPAC Name3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H15BrO3S/c15-11-3-1-10(2-4-11)14-6-5-13(18-14)9-19-8-12(17)7-16/h1-6,12,16-17H,7-9H2
InChIKeyQXYGTMWGODUJRT-UHFFFAOYSA-N
XLogP3.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103561
1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
CID 66230095
3-[(4-bromophenyl)methylsulfanyl]propane-1,2-diol
CID 78912115
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
CID 66220072
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
CID 43299577
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666846
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682966
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
CID 3244890
(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
CID 102192437
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol (CID 79682209) is 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol is OCC(O)CSCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol?
The InChIKey is QXYGTMWGODUJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3S/c15-11-3-1-10(2-4-11)14-6-5-13(18-14)9-19-8-12(17)7-16/h1-6,12,16-17H,7-9H2.
What are the key properties of 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol?
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol has a molecular weight of 343.24 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 79682209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).