4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde

C12H14O3 — CID 131187353

IUPAC4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde
SMILESO=CC1(CCO)CCOc2ccccc21
InChIInChI=1S/C12H14O3/c13-7-5-12(9-14)6-8-15-11-4-2-1-3-10(11)12/h1-4,9,13H,5-8H2
InChIKeyOCVSZOGTAOCXFL-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.29
Rot. Bonds3

About 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde

4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde (PubChem CID 131187353) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde
PubChem CID131187353
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde
SMILESO=CC1(CCO)CCOc2ccccc21
InChIInChI=1S/C12H14O3/c13-7-5-12(9-14)6-8-15-11-4-2-1-3-10(11)12/h1-4,9,13H,5-8H2
InChIKeyOCVSZOGTAOCXFL-UHFFFAOYSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde?
The IUPAC name of 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde (CID 131187353) is 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde?
The canonical SMILES for 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde is O=CC1(CCO)CCOc2ccccc21.
What is the InChIKey of 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde?
The InChIKey is OCVSZOGTAOCXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-7-5-12(9-14)6-8-15-11-4-2-1-3-10(11)12/h1-4,9,13H,5-8H2.
What are the key properties of 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde?
4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde is sourced from PubChem (CID 131187353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).