(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol

C9H14O3 — CID 130626365

IUPAC(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol
SMILESCc1ccc(C[C@@](C)(O)CO)o1
InChIInChI=1S/C9H14O3/c1-7-3-4-8(12-7)5-9(2,11)6-10/h3-4,10-11H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyBECQJZMUOOTFSS-SECBINFHSA-N
MW170.21 g/mol
LogP0.87
Rot. Bonds3

About (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol

(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol (PubChem CID 130626365) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol
PubChem CID130626365
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol
SMILESCc1ccc(C[C@@](C)(O)CO)o1
InChIInChI=1S/C9H14O3/c1-7-3-4-8(12-7)5-9(2,11)6-10/h3-4,10-11H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyBECQJZMUOOTFSS-SECBINFHSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
azane;(5-methylfuran-2-yl)methanol
CID 175565780
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2,5-dimethylfuran;ethanol
CID 160667580
methyl 2-cyano-2-methyl-3-(5-methylfuran-2-yl)propanoate
CID 126553395
bis[(5-methylfuran-2-yl)methyl]-propylazanium
CID 7323737
2-(3-ethyl-3-methylpentyl)-5-methylfuran
CID 54437486
hydroxy-dimethyl-[2-methyl-5-(5-methylfuran-2-yl)pentan-2-yl]silane
CID 71043343
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
CID 43434212

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol?
The IUPAC name of (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol (CID 130626365) is (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol?
The canonical SMILES for (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol is Cc1ccc(C[C@@](C)(O)CO)o1.
What is the InChIKey of (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol?
The InChIKey is BECQJZMUOOTFSS-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O3/c1-7-3-4-8(12-7)5-9(2,11)6-10/h3-4,10-11H,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol?
(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol has a molecular weight of 170.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol is sourced from PubChem (CID 130626365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).