4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol

C18H20O4 — CID 57328685

IUPAC4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol
SMILESOC[C@@H]1[C@@H](Cc2ccc(O)cc2)CO[C@H]1c1ccc(O)cc1
InChIInChI=1S/C18H20O4/c19-10-17-14(9-12-1-5-15(20)6-2-12)11-22-18(17)13-3-7-16(21)8-4-13/h1-8,14,17-21H,9-11H2/t14-,17+,18-/m0/s1
InChIKeyVTBUYLULHBDANC-QGTPRVQTSA-N
MW300.35 g/mol
LogP2.64
Rot. Bonds4

About 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol

4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol (PubChem CID 57328685) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol
PubChem CID57328685
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol
SMILESOC[C@@H]1[C@@H](Cc2ccc(O)cc2)CO[C@H]1c1ccc(O)cc1
InChIInChI=1S/C18H20O4/c19-10-17-14(9-12-1-5-15(20)6-2-12)11-22-18(17)13-3-7-16(21)8-4-13/h1-8,14,17-21H,9-11H2/t14-,17+,18-/m0/s1
InChIKeyVTBUYLULHBDANC-QGTPRVQTSA-N
XLogP2.64
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol?
The IUPAC name of 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol (CID 57328685) is 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol?
The canonical SMILES for 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol is OC[C@@H]1[C@@H](Cc2ccc(O)cc2)CO[C@H]1c1ccc(O)cc1.
What is the InChIKey of 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol?
The InChIKey is VTBUYLULHBDANC-QGTPRVQTSA-N. The full InChI is InChI=1S/C18H20O4/c19-10-17-14(9-12-1-5-15(20)6-2-12)11-22-18(17)13-3-7-16(21)8-4-13/h1-8,14,17-21H,9-11H2/t14-,17+,18-/m0/s1.
What are the key properties of 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol?
4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol has a molecular weight of 300.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4S,5R)-4-(hydroxymethyl)-5-(4-hydroxyphenyl)oxolan-3-yl]methyl]phenol is sourced from PubChem (CID 57328685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).