2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde

C10H12O2 — CID 143498737

IUPAC2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde
SMILESO=CCC1=CC2CCOC2C=C1
InChIInChI=1S/C10H12O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,5,7,9-10H,3-4,6H2
InChIKeyFFGRTYBFSWBVNU-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds2

About 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde

2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde (PubChem CID 143498737) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde
PubChem CID143498737
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde
SMILESO=CCC1=CC2CCOC2C=C1
InChIInChI=1S/C10H12O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,5,7,9-10H,3-4,6H2
InChIKeyFFGRTYBFSWBVNU-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
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

2,3,3a,7a-Tetrahydro-1-benzofuran
CID 17876141
(7aR)-3a,7a-dihydro-3H-1-benzofuran-2-one
CID 118704889
3a,7a-dihydro-3H-1-benzofuran-2-ylidenemethanone
CID 57051633
3a,7a-Dihydro-1-benzofuran-3-one
CID 57276931
[(7aS)-3a,7a-dihydro-3H-1-benzofuran-2-ylidene]methanone
CID 57305562
6-Ethyl-2,3,3a,7a-tetrahydro-1-benzofuran
CID 68198334
2,3,3a,7a-Tetrahydro-1-benzofuran-5-carbaldehyde
CID 88239520
5-Methyl-2,3,3a,7a-tetrahydro-1-benzofuran
CID 89371545
2,3,3a,7a-Tetrahydro-1-benzofuran-4-carbaldehyde
CID 123890375
(4Z)-2-methyl-5-methylidene-4-prop-2-enylideneoxolane-3-carbaldehyde
CID 141777446
(3E)-3-ethylidene-3a,7a-dihydro-1-benzofuran
CID 164064898
1-(1,3,5,6-Tetrahydro-2-benzofuran-5-yl)ethanone
CID 11137471

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde?
The IUPAC name of 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde (CID 143498737) is 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde?
The canonical SMILES for 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde is O=CCC1=CC2CCOC2C=C1.
What is the InChIKey of 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde?
The InChIKey is FFGRTYBFSWBVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,5,7,9-10H,3-4,6H2.
What are the key properties of 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde?
2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,7a-tetrahydro-1-benzofuran-5-yl)acetaldehyde is sourced from PubChem (CID 143498737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).