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

C12H14O3 — CID 130704898

IUPAC3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde
SMILESO=CC1(CCO)COc2ccccc2C1
InChIInChI=1S/C12H14O3/c13-6-5-12(8-14)7-10-3-1-2-4-11(10)15-9-12/h1-4,8,13H,5-7,9H2
InChIKeyFVOYQSMEIJHFNM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.19
Rot. Bonds3

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

3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde (PubChem CID 130704898) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde
PubChem CID130704898
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde
SMILESO=CC1(CCO)COc2ccccc2C1
InChIInChI=1S/C12H14O3/c13-6-5-12(8-14)7-10-3-1-2-4-11(10)15-9-12/h1-4,8,13H,5-7,9H2
InChIKeyFVOYQSMEIJHFNM-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-1,3-dihydroindene-2-carbaldehyde
CID 126997325
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
3-methoxy-2,4-dihydrochromene-3-carbaldehyde
CID 130631253
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
1-(2-hydroxyethyl)cyclopropane-1-carbaldehyde
CID 130698977
3-[2-(2-hydroxyethoxy)ethyl]-2,4-dihydrochromene-3-carbonitrile
CID 114277457
3-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-hydroxybutanal
CID 79124689
4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde
CID 131187353
3-[(E)-3-chloroprop-2-enyl]-2,4-dihydrochromene-3-carboxylic acid
CID 107902547
3-bromo-2,4-dihydrochromene-3-carbonitrile
CID 131107497

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde?
The IUPAC name of 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde (CID 130704898) is 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde?
The canonical SMILES for 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde is O=CC1(CCO)COc2ccccc2C1.
What is the InChIKey of 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde?
The InChIKey is FVOYQSMEIJHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-6-5-12(8-14)7-10-3-1-2-4-11(10)15-9-12/h1-4,8,13H,5-7,9H2.
What are the key properties of 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde?
3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,4-dihydrochromene-3-carbaldehyde is sourced from PubChem (CID 130704898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).