(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one

C15H12O7 — CID 91270469

IUPAC(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one
SMILESO=C1C(O)c2c(O)cc(O)cc2O[C@]1(O)c1ccc(O)cc1
InChIInChI=1S/C15H12O7/c16-8-3-1-7(2-4-8)15(21)14(20)13(19)12-10(18)5-9(17)6-11(12)22-15/h1-6,13,16-19,21H/t13?,15-/m1/s1
InChIKeyUOKBKSGJXGOJMX-AWKYBWMHSA-N
MW304.25 g/mol
LogP0.64
Rot. Bonds1

About (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one

(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one (PubChem CID 91270469) has the molecular formula C15H12O7 and a molecular weight of 304.25 g/mol. Its IUPAC name is (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one.

Molecular Properties

Compound Name(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one
PubChem CID91270469
Molecular FormulaC15H12O7
Molecular Weight304.25 g/mol
Exact Mass304.06
IUPAC Name(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one
SMILESO=C1C(O)c2c(O)cc(O)cc2O[C@]1(O)c1ccc(O)cc1
InChIInChI=1S/C15H12O7/c16-8-3-1-7(2-4-8)15(21)14(20)13(19)12-10(18)5-9(17)6-11(12)22-15/h1-6,13,16-19,21H/t13?,15-/m1/s1
InChIKeyUOKBKSGJXGOJMX-AWKYBWMHSA-N
XLogP0.64
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 50.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one
CID 121493978
(3R)-2,3,4-tribromo-2-(3,4-dihydroxyphenyl)-4H-chromene-3,5,7-triol
CID 139898380
2-(dichloromethyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3H-chromen-4-one
CID 129013800
(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one
CID 175835485
(3R,4S)-3-[(3S,4S)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 162994869
(1R,5R,6S,13R,21R)-13-(4-hydroxyphenyl)-5-(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
CID 101142577
(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol
CID 152771879
(1R,9S)-9-(3,4-dihydroxyphenyl)-4-[(2S)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene-3,5,13,15,17-pentol
CID 102453656
(5S,6R)-5-(3,4-dihydroxyphenyl)-6,9,17,19-tetrahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one
CID 23872054
(5R,6S,13S,21R)-13-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
CID 10626681
13-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
CID 14586214
(5R,6R,7R)-7-(3,4-dihydroxyphenyl)-6,11-dihydroxy-10-[(1R,5R,6R,7S,13S,21R)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-yl]-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-3-one
CID 163102358

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one?
The IUPAC name of (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one (CID 91270469) is (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one.
What is the SMILES notation for (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one?
The canonical SMILES for (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one is O=C1C(O)c2c(O)cc(O)cc2O[C@]1(O)c1ccc(O)cc1.
What is the InChIKey of (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one?
The InChIKey is UOKBKSGJXGOJMX-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H12O7/c16-8-3-1-7(2-4-8)15(21)14(20)13(19)12-10(18)5-9(17)6-11(12)22-15/h1-6,13,16-19,21H/t13?,15-/m1/s1.
What are the key properties of (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one?
(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one has a molecular weight of 304.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one is sourced from PubChem (CID 91270469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).