3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

C15H12O2 — CID 86151541

IUPAC3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(c1ccccc1)CO2
InChIInChI=1S/C15H12O2/c16-9-11-6-7-15-13(8-11)14(10-17-15)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeySGUUVVXMVWBYPS-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.02
Rot. Bonds2

About 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 86151541) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID86151541
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(c1ccccc1)CO2
InChIInChI=1S/C15H12O2/c16-9-11-6-7-15-13(8-11)14(10-17-15)12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeySGUUVVXMVWBYPS-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129408805
3-fluoro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 57432269
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
3-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 10845348
2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 10821498
N-[2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)phenyl]formamide
CID 87092130
4-(4,6,7-trimethyl-2,3-dihydro-1-benzofuran-3-yl)benzaldehyde
CID 23114137
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
(2R,3R)-3-(hydroxymethyl)-2-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 11414547
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
N-benzyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-amine
CID 68708658

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 86151541) is 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is O=Cc1ccc2c(c1)C(c1ccccc1)CO2.
What is the InChIKey of 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is SGUUVVXMVWBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-9-11-6-7-15-13(8-11)14(10-17-15)12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 86151541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).