(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

C16H16O5 — CID 126500545

IUPAC(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESCc1ccc([C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O
InChIInChI=1S/C16H16O5/c1-8-2-3-9(4-12(8)18)16-14(20)7-11-13(19)5-10(17)6-15(11)21-16/h2-6,14,16-20H,7H2,1H3/t14-,16-/m0/s1
InChIKeyZIFMTQBHOSETDO-HOCLYGCPSA-N
MW288.30 g/mol
LogP2.15
Rot. Bonds1

About (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 126500545) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

Compound Name(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID126500545
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESCc1ccc([C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O
InChIInChI=1S/C16H16O5/c1-8-2-3-9(4-12(8)18)16-14(20)7-11-13(19)5-10(17)6-15(11)21-16/h2-6,14,16-20H,7H2,1H3/t14-,16-/m0/s1
InChIKeyZIFMTQBHOSETDO-HOCLYGCPSA-N
XLogP2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 1203
benzene-1,3,5-triol;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 68742693
[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 102421449
actinium;(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 59086270
2-aminoethanethiol;(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 175607583
butanedioic acid;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 175541834
butanedioic acid;bis((2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol)
CID 175541831
hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium
CID 102455034
4-carboxy-2,6-dihydroxyphenolate;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 54725816
[2-methoxycarbonyloxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] methyl carbonate
CID 86271617
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(3,4,5-trihydroxybenzoyl) 3,4,5-trihydroxybenzoate
CID 146291079
2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 607273

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
The IUPAC name of (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (CID 126500545) is (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.
What is the SMILES notation for (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
The canonical SMILES for (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is Cc1ccc([C@@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O.
What is the InChIKey of (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
The InChIKey is ZIFMTQBHOSETDO-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H16O5/c1-8-2-3-9(4-12(8)18)16-14(20)7-11-13(19)5-10(17)6-15(11)21-16/h2-6,14,16-20H,7H2,1H3/t14-,16-/m0/s1.
What are the key properties of (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 288.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 126500545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).