2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol

C14H16O3 — CID 83183437

IUPAC2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
SMILESOCC(CO)(Cc1ccoc1)c1ccccc1
InChIInChI=1S/C14H16O3/c15-10-14(11-16,8-12-6-7-17-9-12)13-4-2-1-3-5-13/h1-7,9,15-16H,8,10-11H2
InChIKeyHVSZWIKDYWDZCU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.74
Rot. Bonds5

About 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol

2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol (PubChem CID 83183437) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
PubChem CID83183437
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
SMILESOCC(CO)(Cc1ccoc1)c1ccccc1
InChIInChI=1S/C14H16O3/c15-10-14(11-16,8-12-6-7-17-9-12)13-4-2-1-3-5-13/h1-7,9,15-16H,8,10-11H2
InChIKeyHVSZWIKDYWDZCU-UHFFFAOYSA-N
XLogP1.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol?
The IUPAC name of 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol (CID 83183437) is 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol is OCC(CO)(Cc1ccoc1)c1ccccc1.
What is the InChIKey of 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol?
The InChIKey is HVSZWIKDYWDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-10-14(11-16,8-12-6-7-17-9-12)13-4-2-1-3-5-13/h1-7,9,15-16H,8,10-11H2.
What are the key properties of 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol?
2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol has a molecular weight of 232.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol is sourced from PubChem (CID 83183437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).