2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol

C15H14O6 — CID 70700187

IUPAC2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol
SMILESOc1cc(O)c2c(c1)OC(c1ccccc1)C(O)(O)C2O
InChIInChI=1S/C15H14O6/c16-9-6-10(17)12-11(7-9)21-14(15(19,20)13(12)18)8-4-2-1-3-5-8/h1-7,13-14,16-20H
InChIKeyAKDVYNSLZXOGKU-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.95
Rot. Bonds1

About 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol

2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol (PubChem CID 70700187) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol.

Molecular Properties

Compound Name2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol
PubChem CID70700187
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol
SMILESOc1cc(O)c2c(c1)OC(c1ccccc1)C(O)(O)C2O
InChIInChI=1S/C15H14O6/c16-9-6-10(17)12-11(7-9)21-14(15(19,20)13(12)18)8-4-2-1-3-5-8/h1-7,13-14,16-20H
InChIKeyAKDVYNSLZXOGKU-UHFFFAOYSA-N
XLogP0.95
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
CID 66548355
(2R,3R)-2-phenyl-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 14281803
4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one
CID 121493978
(2R,3S,4S)-4-benzylsulfanyl-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 93477121
4,15-bis(3,5-dihydroxyphenyl)-5,11,16-tris(4-hydroxyphenyl)-22-phenyl-6,17-dioxahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol
CID 162982892
5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14794877
(2R,3S)-3-benzyl-2-(3,4-dihydroxyphenyl)-2,4-dihydrochromene-3,5,7-triol
CID 91206714
(2R,3R)-2-phenyl-3-propan-2-yl-2H-1-benzofuran-3-ol
CID 135058548
2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol
CID 71007772
(1R,8S,9S,16R)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8R,9S,16R)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol
CID 102251708
3,5,6,8-tetramethyl-2-phenyl-2,4-dihydrochromene-3,4,7-triol
CID 175752811
4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one
CID 69045097

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol?
The IUPAC name of 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol (CID 70700187) is 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol.
What is the SMILES notation for 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol?
The canonical SMILES for 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol is Oc1cc(O)c2c(c1)OC(c1ccccc1)C(O)(O)C2O.
What is the InChIKey of 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol?
The InChIKey is AKDVYNSLZXOGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c16-9-6-10(17)12-11(7-9)21-14(15(19,20)13(12)18)8-4-2-1-3-5-8/h1-7,13-14,16-20H.
What are the key properties of 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol?
2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol has a molecular weight of 290.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol is sourced from PubChem (CID 70700187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).