(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol

C15H14O2 — CID 10633001

IUPAC(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol
SMILESC[C@@H]1Oc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C15H14O2/c1-11-15(16,12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-11/h2-11,16H,1H3/t11-,15-/m0/s1
InChIKeyXVMMELTVTVKKPW-NHYWBVRUSA-N
MW226.28 g/mol
LogP2.70
Rot. Bonds1

About (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol

(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol (PubChem CID 10633001) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol
PubChem CID10633001
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol
SMILESC[C@@H]1Oc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C15H14O2/c1-11-15(16,12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-11/h2-11,16H,1H3/t11-,15-/m0/s1
InChIKeyXVMMELTVTVKKPW-NHYWBVRUSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162436655
[(3S)-3-hydroxy-2-methyl-2H-1-benzofuran-3-yl] acetate
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(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
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2-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-ol
CID 15438933
(2R)-4,4-dimethyl-2,3-dihydrochromen-2-ol
CID 129403969
(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
CID 135058548
(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol
CID 15741866
8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol
CID 163321412
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054
4-methyl-3,3-diphenyloxetan-2-one
CID 87128562
6b-methyl-1aH-oxireno[2,3-b][1]benzofuran
CID 54113383

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol?
The IUPAC name of (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol (CID 10633001) is (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol.
What is the SMILES notation for (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol?
The canonical SMILES for (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol is C[C@@H]1Oc2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol?
The InChIKey is XVMMELTVTVKKPW-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-15(16,12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-11/h2-11,16H,1H3/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol?
(2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol has a molecular weight of 226.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-phenyl-2H-1-benzofuran-3-ol is sourced from PubChem (CID 10633001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).