(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one

C18H18O4 — CID 10685477

IUPAC(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
SMILESO=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1
InChIInChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1
InChIKeyHVDGDHBAMCBBLR-WMLDXEAASA-N
MW298.34 g/mol
LogP2.67
Rot. Bonds4

About (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one

(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one (PubChem CID 10685477) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
PubChem CID10685477
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
SMILESO=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1
InChIInChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1
InChIKeyHVDGDHBAMCBBLR-WMLDXEAASA-N
XLogP2.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one?
The IUPAC name of (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one (CID 10685477) is (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one is O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1.
What is the InChIKey of (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one?
The InChIKey is HVDGDHBAMCBBLR-WMLDXEAASA-N. The full InChI is InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1.
What are the key properties of (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one?
(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one has a molecular weight of 298.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 10685477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).