(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

C15H12O2 — CID 129408805

IUPAC(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C[C@@H](c1ccccc1)O2
InChIInChI=1S/C15H12O2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h1-8,10,15H,9H2/t15-/m0/s1
InChIKeyMTRWDJRTMXDTJR-HNNXBMFYSA-N
MW224.26 g/mol
LogP3.18
Rot. Bonds2

About (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 129408805) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID129408805
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C[C@@H](c1ccccc1)O2
InChIInChI=1S/C15H12O2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h1-8,10,15H,9H2/t15-/m0/s1
InChIKeyMTRWDJRTMXDTJR-HNNXBMFYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 125455814
(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129404936
3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 86151541
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
2-phenyl-2,3-dihydrofuro[2,3-f][1]benzofuran
CID 132542773
5-phenyloxolane-2,3-dione
CID 14450727
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312
(2R,3R)-3-(hydroxymethyl)-2-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 11414547
3-(5-propan-2-yl-2,3-dihydro-1-benzofuran-2-yl)benzoic acid
CID 172603073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 129408805) is (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is O=Cc1ccc2c(c1)C[C@@H](c1ccccc1)O2.
What is the InChIKey of (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is MTRWDJRTMXDTJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12O2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h1-8,10,15H,9H2/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 129408805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).