4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol

C20H24O2 — CID 175660730

IUPAC4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol
SMILESCC(C)[C@@H]1C[C@H](c2ccccc2)CO[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H24O2/c1-14(2)19-12-17(15-6-4-3-5-7-15)13-22-20(19)16-8-10-18(21)11-9-16/h3-11,14,17,19-21H,12-13H2,1-2H3/t17-,19-,20-/m0/s1
InChIKeyDGDCSYVRAOICMF-IHPCNDPISA-N
MW296.41 g/mol
LogP4.91
Rot. Bonds3

About 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol

4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol (PubChem CID 175660730) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol
PubChem CID175660730
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol
SMILESCC(C)[C@@H]1C[C@H](c2ccccc2)CO[C@H]1c1ccc(O)cc1
InChIInChI=1S/C20H24O2/c1-14(2)19-12-17(15-6-4-3-5-7-15)13-22-20(19)16-8-10-18(21)11-9-16/h3-11,14,17,19-21H,12-13H2,1-2H3/t17-,19-,20-/m0/s1
InChIKeyDGDCSYVRAOICMF-IHPCNDPISA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol?
The IUPAC name of 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol (CID 175660730) is 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol?
The canonical SMILES for 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol is CC(C)[C@@H]1C[C@H](c2ccccc2)CO[C@H]1c1ccc(O)cc1.
What is the InChIKey of 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol?
The InChIKey is DGDCSYVRAOICMF-IHPCNDPISA-N. The full InChI is InChI=1S/C20H24O2/c1-14(2)19-12-17(15-6-4-3-5-7-15)13-22-20(19)16-8-10-18(21)11-9-16/h3-11,14,17,19-21H,12-13H2,1-2H3/t17-,19-,20-/m0/s1.
What are the key properties of 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol?
4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol has a molecular weight of 296.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S,5R)-5-phenyl-3-propan-2-yloxan-2-yl]phenol is sourced from PubChem (CID 175660730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).