3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid

C14H16O5 — CID 114266784

IUPAC3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid
SMILESO=C(O)C1(C2COCC2O)COc2ccccc2C1
InChIInChI=1S/C14H16O5/c15-11-7-18-6-10(11)14(13(16)17)5-9-3-1-2-4-12(9)19-8-14/h1-4,10-11,15H,5-8H2,(H,16,17)
InChIKeyCQDFETDOFLGHGZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.70
Rot. Bonds2

About 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid

3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid (PubChem CID 114266784) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid
PubChem CID114266784
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid
SMILESO=C(O)C1(C2COCC2O)COc2ccccc2C1
InChIInChI=1S/C14H16O5/c15-11-7-18-6-10(11)14(13(16)17)5-9-3-1-2-4-12(9)19-8-14/h1-4,10-11,15H,5-8H2,(H,16,17)
InChIKeyCQDFETDOFLGHGZ-UHFFFAOYSA-N
XLogP0.70
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxycyclohexyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79428973
2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79429170
(3aS,10aS)-2-(2-oxo-2-phenylacetyl)-3,3a,4,10-tetrahydro-1H-[1]benzoxepino[3,4-c]pyrrole-10a-carboxylic acid
CID 72885194
3-(2-methylprop-2-enyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79428492
3-(2-hydroxypropyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79429351
3-[(E)-3-chloroprop-2-enyl]-2,4-dihydrochromene-3-carboxylic acid
CID 107902547
(3S)-3-methyl-2,4-dihydrochromen-3-ol
CID 163222084
3-methyl-2,4-dihydrochromen-3-ol
CID 71345229
[(3R)-3-methyl-2,4-dihydrochromen-3-yl]methanol
CID 132962049
2-(4-hydroxy-1,1-dioxothiolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79428307
3-[(2-chlorophenyl)methyl]-2,4-dihydrochromene-3-carboxylic acid
CID 65407559
3-octyl-2,4-dihydrochromene-3-carboxylic acid
CID 65406790

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid?
The IUPAC name of 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid (CID 114266784) is 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid?
The canonical SMILES for 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid is O=C(O)C1(C2COCC2O)COc2ccccc2C1.
What is the InChIKey of 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid?
The InChIKey is CQDFETDOFLGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c15-11-7-18-6-10(11)14(13(16)17)5-9-3-1-2-4-12(9)19-8-14/h1-4,10-11,15H,5-8H2,(H,16,17).
What are the key properties of 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid?
3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyoxolan-3-yl)-2,4-dihydrochromene-3-carboxylic acid is sourced from PubChem (CID 114266784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).