4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde

C16H14O3 — CID 66363776

IUPAC4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H14O3/c17-10-12-5-7-14(8-6-12)18-11-15-9-13-3-1-2-4-16(13)19-15/h1-8,10,15H,9,11H2
InChIKeyHOVHUPXCNFOJNY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde

4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde (PubChem CID 66363776) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
PubChem CID66363776
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H14O3/c17-10-12-5-7-14(8-6-12)18-11-15-9-13-3-1-2-4-16(13)19-15/h1-8,10,15H,9,11H2
InChIKeyHOVHUPXCNFOJNY-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364358
N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide
CID 141114125
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
2-[(3-bromo-5-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81332587
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 11195526
(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107718132
(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
CID 66348382
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
CID 102910872

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde (CID 66363776) is 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde is O=Cc1ccc(OCC2Cc3ccccc3O2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The InChIKey is HOVHUPXCNFOJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-10-12-5-7-14(8-6-12)18-11-15-9-13-3-1-2-4-16(13)19-15/h1-8,10,15H,9,11H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde has a molecular weight of 254.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 66363776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).