(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one

C18H18O4 — CID 71574868

IUPAC(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one
SMILESO=C1C[C@@H](Cc2ccc(O)c(OCc3ccccc3)c2)CO1
InChIInChI=1S/C18H18O4/c19-16-7-6-14(8-15-10-18(20)22-12-15)9-17(16)21-11-13-4-2-1-3-5-13/h1-7,9,15,19H,8,10-12H2/t15-/m1/s1
InChIKeyJPOBCJHSXDCQGS-OAHLLOKOSA-N
MW298.34 g/mol
LogP3.08
Rot. Bonds5

About (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one

(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one (PubChem CID 71574868) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one
PubChem CID71574868
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one
SMILESO=C1C[C@@H](Cc2ccc(O)c(OCc3ccccc3)c2)CO1
InChIInChI=1S/C18H18O4/c19-16-7-6-14(8-15-10-18(20)22-12-15)9-17(16)21-11-13-4-2-1-3-5-13/h1-7,9,15,19H,8,10-12H2/t15-/m1/s1
InChIKeyJPOBCJHSXDCQGS-OAHLLOKOSA-N
XLogP3.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one (CID 71574868) is (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one is O=C1C[C@@H](Cc2ccc(O)c(OCc3ccccc3)c2)CO1.
What is the InChIKey of (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one?
The InChIKey is JPOBCJHSXDCQGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18O4/c19-16-7-6-14(8-15-10-18(20)22-12-15)9-17(16)21-11-13-4-2-1-3-5-13/h1-7,9,15,19H,8,10-12H2/t15-/m1/s1.
What are the key properties of (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one?
(4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-hydroxy-3-phenylmethoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 71574868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).