3,4-dihydro-2H-chromene-3-carbaldehyde

C10H10O2 — CID 53275981

IUPAC3,4-dihydro-2H-chromene-3-carbaldehyde
SMILESO=CC1COc2ccccc2C1
InChIInChI=1S/C10H10O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,6,8H,5,7H2
InChIKeyDEMVATYIJXKRBR-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.44
Rot. Bonds1

About 3,4-dihydro-2H-chromene-3-carbaldehyde

3,4-dihydro-2H-chromene-3-carbaldehyde (PubChem CID 53275981) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-3-carbaldehyde
PubChem CID53275981
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3,4-dihydro-2H-chromene-3-carbaldehyde
SMILESO=CC1COc2ccccc2C1
InChIInChI=1S/C10H10O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,6,8H,5,7H2
InChIKeyDEMVATYIJXKRBR-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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-2H-chromene-3-carbaldehyde?
The IUPAC name of 3,4-dihydro-2H-chromene-3-carbaldehyde (CID 53275981) is 3,4-dihydro-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 3,4-dihydro-2H-chromene-3-carbaldehyde?
The canonical SMILES for 3,4-dihydro-2H-chromene-3-carbaldehyde is O=CC1COc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromene-3-carbaldehyde?
The InChIKey is DEMVATYIJXKRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,6,8H,5,7H2.
What are the key properties of 3,4-dihydro-2H-chromene-3-carbaldehyde?
3,4-dihydro-2H-chromene-3-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 53275981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).