1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol

C9H16O3 — CID 163419020

IUPAC1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol
SMILESCC(O)CC(O)C1=CC[C@@H](C)O1
InChIInChI=1S/C9H16O3/c1-6(10)5-8(11)9-4-3-7(2)12-9/h4,6-8,10-11H,3,5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyAGWBIGYZLIERMW-ZUEIMRROSA-N
MW172.22 g/mol
LogP0.81
Rot. Bonds3

About 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol

1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol (PubChem CID 163419020) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol
PubChem CID163419020
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol
SMILESCC(O)CC(O)C1=CC[C@@H](C)O1
InChIInChI=1S/C9H16O3/c1-6(10)5-8(11)9-4-3-7(2)12-9/h4,6-8,10-11H,3,5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyAGWBIGYZLIERMW-ZUEIMRROSA-N
XLogP0.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol (CID 163419020) is 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol is CC(O)CC(O)C1=CC[C@@H](C)O1.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol?
The InChIKey is AGWBIGYZLIERMW-ZUEIMRROSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(10)5-8(11)9-4-3-7(2)12-9/h4,6-8,10-11H,3,5H2,1-2H3/t6?,7-,8?/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol?
1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol has a molecular weight of 172.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydrofuran-5-yl]butane-1,3-diol is sourced from PubChem (CID 163419020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).