(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal

C12H10O5 — CID 101223869

IUPAC(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal
SMILESO=C[C@H](O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H10O5/c13-6-9(14)7-16-10-3-1-8-2-4-12(15)17-11(8)5-10/h1-6,9,14H,7H2/t9-/m0/s1
InChIKeyRYGFZOGHTVBBCX-VIFPVBQESA-N
MW234.21 g/mol
LogP0.73
Rot. Bonds4

About (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal

(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal (PubChem CID 101223869) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal
PubChem CID101223869
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal
SMILESO=C[C@H](O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H10O5/c13-6-9(14)7-16-10-3-1-8-2-4-12(15)17-11(8)5-10/h1-6,9,14H,7H2/t9-/m0/s1
InChIKeyRYGFZOGHTVBBCX-VIFPVBQESA-N
XLogP0.73
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(2-hydroxypentoxy)chromen-2-one
CID 130287251
7-[(2S,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxoheptoxy]chromen-2-one
CID 101085580
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-[(2S,6R)-2,6,7-trihydroxy-7-methyl-3-methylideneoctoxy]chromen-2-one
CID 162898481
7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
[2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl] prop-2-enoate
CID 90188860
7-[(E)-4-bromobut-2-enoxy]chromen-2-one
CID 58205921

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal?
The IUPAC name of (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal (CID 101223869) is (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal.
What is the SMILES notation for (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal?
The canonical SMILES for (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal is O=C[C@H](O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal?
The InChIKey is RYGFZOGHTVBBCX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10O5/c13-6-9(14)7-16-10-3-1-8-2-4-12(15)17-11(8)5-10/h1-6,9,14H,7H2/t9-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal?
(2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal has a molecular weight of 234.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-(2-oxochromen-7-yl)oxypropanal is sourced from PubChem (CID 101223869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).