(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol

C13H12O4 — CID 124565841

IUPAC(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol
SMILESOc1ccc2c(c1)O[C@@H](c1ccco1)C[C@@H]2O
InChIInChI=1S/C13H12O4/c14-8-3-4-9-10(15)7-13(17-12(9)6-8)11-2-1-5-16-11/h1-6,10,13-15H,7H2/t10-,13+/m0/s1
InChIKeyDDCCYDLROVRJDO-GXFFZTMASA-N
MW232.24 g/mol
LogP2.54
Rot. Bonds1

About (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol

(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol (PubChem CID 124565841) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol.

Molecular Properties

Compound Name(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol
PubChem CID124565841
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol
SMILESOc1ccc2c(c1)O[C@@H](c1ccco1)C[C@@H]2O
InChIInChI=1S/C13H12O4/c14-8-3-4-9-10(15)7-13(17-12(9)6-8)11-2-1-5-16-11/h1-6,10,13-15H,7H2/t10-,13+/m0/s1
InChIKeyDDCCYDLROVRJDO-GXFFZTMASA-N
XLogP2.54
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
2-(3-fluorophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 157484623
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
CID 101141276
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
2-(3-nitrophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 158773048
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714801
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol?
The IUPAC name of (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol (CID 124565841) is (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol.
What is the SMILES notation for (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol?
The canonical SMILES for (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol is Oc1ccc2c(c1)O[C@@H](c1ccco1)C[C@@H]2O.
What is the InChIKey of (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol?
The InChIKey is DDCCYDLROVRJDO-GXFFZTMASA-N. The full InChI is InChI=1S/C13H12O4/c14-8-3-4-9-10(15)7-13(17-12(9)6-8)11-2-1-5-16-11/h1-6,10,13-15H,7H2/t10-,13+/m0/s1.
What are the key properties of (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol?
(2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol has a molecular weight of 232.24 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(furan-2-yl)-3,4-dihydro-2H-chromene-4,7-diol is sourced from PubChem (CID 124565841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).