3,4-dihydro-1H-isochromene-7-carbaldehyde

C10H10O2 — CID 82415325

IUPAC3,4-dihydro-1H-isochromene-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)COCC2
InChIInChI=1S/C10H10O2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5-6H,3-4,7H2
InChIKeySUHLYKUQPUNPIN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.57
Rot. Bonds1

About 3,4-dihydro-1H-isochromene-7-carbaldehyde

3,4-dihydro-1H-isochromene-7-carbaldehyde (PubChem CID 82415325) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromene-7-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromene-7-carbaldehyde
PubChem CID82415325
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3,4-dihydro-1H-isochromene-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)COCC2
InChIInChI=1S/C10H10O2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5-6H,3-4,7H2
InChIKeySUHLYKUQPUNPIN-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromene-7-carbaldehyde?
The IUPAC name of 3,4-dihydro-1H-isochromene-7-carbaldehyde (CID 82415325) is 3,4-dihydro-1H-isochromene-7-carbaldehyde.
What is the SMILES notation for 3,4-dihydro-1H-isochromene-7-carbaldehyde?
The canonical SMILES for 3,4-dihydro-1H-isochromene-7-carbaldehyde is O=Cc1ccc2c(c1)COCC2.
What is the InChIKey of 3,4-dihydro-1H-isochromene-7-carbaldehyde?
The InChIKey is SUHLYKUQPUNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5-6H,3-4,7H2.
What are the key properties of 3,4-dihydro-1H-isochromene-7-carbaldehyde?
3,4-dihydro-1H-isochromene-7-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromene-7-carbaldehyde is sourced from PubChem (CID 82415325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).