3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde

C12H12O2 — CID 177337073

IUPAC3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde
SMILESO=Cc1c2c(cc3c1OCC3)CCC2
InChIInChI=1S/C12H12O2/c13-7-11-10-3-1-2-8(10)6-9-4-5-14-12(9)11/h6-7H,1-5H2
InChIKeyHQWMVVPULPCMKZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.92
Rot. Bonds1

About 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde

3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde (PubChem CID 177337073) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde
PubChem CID177337073
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde
SMILESO=Cc1c2c(cc3c1OCC3)CCC2
InChIInChI=1S/C12H12O2/c13-7-11-10-3-1-2-8(10)6-9-4-5-14-12(9)11/h6-7H,1-5H2
InChIKeyHQWMVVPULPCMKZ-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.92
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

6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde
CID 11229132
N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)methyl]-6,7-dihydro-5H-pyrano[3,2-c][1,2]thiazole-3-sulfonamide
CID 167303957
N-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide;5-propan-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide;6-propan-2-yl-2,3-dihydro-1H-indene-4-sulfonamide
CID 159178736
2,3,6,7-tetrahydrofuro[3,2-g][1]benzofuran-4-sulfonyl chloride
CID 84710258
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718
3,5,6,7-tetrahydro-2H-furo[3,2-h][1]benzoxepin-8-one
CID 609166
4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 142236889
1-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117373202
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
4-methoxy-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 82374449
(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117411462

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde?
The IUPAC name of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde (CID 177337073) is 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde is O=Cc1c2c(cc3c1OCC3)CCC2.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde?
The InChIKey is HQWMVVPULPCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-7-11-10-3-1-2-8(10)6-9-4-5-14-12(9)11/h6-7H,1-5H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde?
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-carbaldehyde is sourced from PubChem (CID 177337073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).