(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde

C10H10O2 — CID 54208872

IUPAC(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
SMILESO=C[C@H]1CCc2ccccc2O1
InChIInChI=1S/C10H10O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5-6H2/t9-/m1/s1
InChIKeyPUMRUSBKNSBTAL-SECBINFHSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds1

About (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde

(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde (PubChem CID 54208872) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
PubChem CID54208872
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
SMILESO=C[C@H]1CCc2ccccc2O1
InChIInChI=1S/C10H10O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5-6H2/t9-/m1/s1
InChIKeyPUMRUSBKNSBTAL-SECBINFHSA-N
XLogP1.58
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 ≤ 51.58
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 (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde?
The IUPAC name of (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde (CID 54208872) is (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde.
What is the SMILES notation for (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde?
The canonical SMILES for (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde is O=C[C@H]1CCc2ccccc2O1.
What is the InChIKey of (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde?
The InChIKey is PUMRUSBKNSBTAL-SECBINFHSA-N. The full InChI is InChI=1S/C10H10O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,7,9H,5-6H2/t9-/m1/s1.
What are the key properties of (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde?
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydro-2H-chromene-2-carbaldehyde is sourced from PubChem (CID 54208872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).