4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol

C18H20O3 — CID 14213223

IUPAC4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
SMILESC[C@@H]1[C@H](C)[C@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1
InChIInChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m1/s1
InChIKeyPIBJADPEZQHMQS-FVEFGIFQSA-N
MW284.36 g/mol
LogP4.18
Rot. Bonds2

About 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol

4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol (PubChem CID 14213223) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
PubChem CID14213223
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
SMILESC[C@@H]1[C@H](C)[C@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1
InChIInChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m1/s1
InChIKeyPIBJADPEZQHMQS-FVEFGIFQSA-N
XLogP4.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
The IUPAC name of 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol (CID 14213223) is 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
The canonical SMILES for 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol is C[C@@H]1[C@H](C)[C@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1.
What is the InChIKey of 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
The InChIKey is PIBJADPEZQHMQS-FVEFGIFQSA-N. The full InChI is InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m1/s1.
What are the key properties of 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol is sourced from PubChem (CID 14213223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).