4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol

C11H14O3 — CID 126970863

IUPAC4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol
SMILESOCCC1(O)CCOc2ccccc21
InChIInChI=1S/C11H14O3/c12-7-5-11(13)6-8-14-10-4-2-1-3-9(10)11/h1-4,12-13H,5-8H2
InChIKeyIDYZLGXYMCXTFS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.04
Rot. Bonds2

About 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol

4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol (PubChem CID 126970863) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol
PubChem CID126970863
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol
SMILESOCCC1(O)CCOc2ccccc21
InChIInChI=1S/C11H14O3/c12-7-5-11(13)6-8-14-10-4-2-1-3-9(10)11/h1-4,12-13H,5-8H2
InChIKeyIDYZLGXYMCXTFS-UHFFFAOYSA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrocannabinol
CID 16078
Equol
CID 91469
Delta-8-Tetrahydrocannabinol
CID 638026
Dexanabinol
CID 107778
Phenoxodiol
CID 219100
Tetrahydrocannabivarin
CID 93147
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
Vestitol, (-)-
CID 182259
HU 210
CID 9821569
Afzelechin
CID 442154
Xanthydrol
CID 72861
(-)-Epiafzelechin
CID 443639

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol?
The IUPAC name of 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol (CID 126970863) is 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol is OCCC1(O)CCOc2ccccc21.
What is the InChIKey of 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol?
The InChIKey is IDYZLGXYMCXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-7-5-11(13)6-8-14-10-4-2-1-3-9(10)11/h1-4,12-13H,5-8H2.
What are the key properties of 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol?
4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol has a molecular weight of 194.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 126970863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).