(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol

C17H18O2 — CID 135058548

IUPAC(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
SMILESCC(C)[C@@]1(O)c2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O2/c1-12(2)17(18)14-10-6-7-11-15(14)19-16(17)13-8-4-3-5-9-13/h3-12,16,18H,1-2H3/t16-,17-/m1/s1
InChIKeyBSQWCBRGTPETMU-IAGOWNOFSA-N
MW254.33 g/mol
LogP3.66
Rot. Bonds2

About (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol

(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol (PubChem CID 135058548) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
PubChem CID135058548
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
SMILESCC(C)[C@@]1(O)c2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O2/c1-12(2)17(18)14-10-6-7-11-15(14)19-16(17)13-8-4-3-5-9-13/h3-12,16,18H,1-2H3/t16-,17-/m1/s1
InChIKeyBSQWCBRGTPETMU-IAGOWNOFSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol?
The IUPAC name of (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol (CID 135058548) is (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol.
What is the SMILES notation for (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol?
The canonical SMILES for (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol is CC(C)[C@@]1(O)c2ccccc2O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol?
The InChIKey is BSQWCBRGTPETMU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)17(18)14-10-6-7-11-15(14)19-16(17)13-8-4-3-5-9-13/h3-12,16,18H,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol?
(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol has a molecular weight of 254.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol is sourced from PubChem (CID 135058548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).