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

C16H14O2 — CID 129362542

IUPAC(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C[C@H](Cc1ccccc1)O2
InChIInChI=1S/C16H14O2/c17-11-13-6-7-16-14(8-13)10-15(18-16)9-12-4-2-1-3-5-12/h1-8,11,15H,9-10H2/t15-/m0/s1
InChIKeyUOFKHRIVBXKNNM-HNNXBMFYSA-N
MW238.29 g/mol
LogP3.05
Rot. Bonds3

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

(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 129362542) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID129362542
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C[C@H](Cc1ccccc1)O2
InChIInChI=1S/C16H14O2/c17-11-13-6-7-16-14(8-13)10-15(18-16)9-12-4-2-1-3-5-12/h1-8,11,15H,9-10H2/t15-/m0/s1
InChIKeyUOFKHRIVBXKNNM-HNNXBMFYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.05
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
6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 14155579
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde
CID 18653181
3-benzyl-3,4-dihydroisochromen-1-one
CID 10728624
(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 125455814
2-benzyl-2,3-dihydrochromen-4-one
CID 14773508
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129404936
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-5-carbaldehyde
CID 102910872
4-[[3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzaldehyde
CID 25138413
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 129362542) is (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is O=Cc1ccc2c(c1)C[C@H](Cc1ccccc1)O2.
What is the InChIKey of (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is UOFKHRIVBXKNNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14O2/c17-11-13-6-7-16-14(8-13)10-15(18-16)9-12-4-2-1-3-5-12/h1-8,11,15H,9-10H2/t15-/m0/s1.
What are the key properties of (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 238.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 129362542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).