(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol

C19H20O3 — CID 12046892

IUPAC(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol
SMILESC[C@H](O)C(O)(CCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20O3/c1-14(20)19(21,12-11-15-7-3-2-4-8-15)18-13-16-9-5-6-10-17(16)22-18/h2-10,13-14,20-21H,11-12H2,1H3/t14-,19?/m0/s1
InChIKeyVUMQNJNMGYTSHP-KTQQKIMGSA-N
MW296.37 g/mol
LogP3.63
Rot. Bonds5

About (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol

(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol (PubChem CID 12046892) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol.

Molecular Properties

Compound Name(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol
PubChem CID12046892
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol
SMILESC[C@H](O)C(O)(CCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H20O3/c1-14(20)19(21,12-11-15-7-3-2-4-8-15)18-13-16-9-5-6-10-17(16)22-18/h2-10,13-14,20-21H,11-12H2,1H3/t14-,19?/m0/s1
InChIKeyVUMQNJNMGYTSHP-KTQQKIMGSA-N
XLogP3.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol?
The IUPAC name of (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol (CID 12046892) is (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol.
What is the SMILES notation for (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol?
The canonical SMILES for (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol is C[C@H](O)C(O)(CCc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol?
The InChIKey is VUMQNJNMGYTSHP-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(20)19(21,12-11-15-7-3-2-4-8-15)18-13-16-9-5-6-10-17(16)22-18/h2-10,13-14,20-21H,11-12H2,1H3/t14-,19?/m0/s1.
What are the key properties of (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol?
(2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol has a molecular weight of 296.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1-benzofuran-2-yl)-5-phenylpentane-2,3-diol is sourced from PubChem (CID 12046892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).