8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one

C27H24O7 — CID 163052038

IUPAC8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one
SMILESO=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)c3c(c12)OC(CCO)CC3
InChIInChI=1S/C27H24O7/c28-11-10-18-7-8-19-21(30)14-22-23(27(19)33-18)24(31)25(32)26(34-22)16-6-9-20(29)17(13-16)12-15-4-2-1-3-5-15/h1-6,9,13-14,18,28-30,32H,7-8,10-12H2
InChIKeyLKNISUUTDKROAW-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.24
Rot. Bonds5

About 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one

8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one (PubChem CID 163052038) has the molecular formula C27H24O7 and a molecular weight of 460.48 g/mol. Its IUPAC name is 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one.

Molecular Properties

Compound Name8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one
PubChem CID163052038
Molecular FormulaC27H24O7
Molecular Weight460.48 g/mol
Exact Mass460.15
IUPAC Name8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one
SMILESO=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)c3c(c12)OC(CCO)CC3
InChIInChI=1S/C27H24O7/c28-11-10-18-7-8-19-21(30)14-22-23(27(19)33-18)24(31)25(32)26(34-22)16-6-9-20(29)17(13-16)12-15-4-2-1-3-5-15/h1-6,9,13-14,18,28-30,32H,7-8,10-12H2
InChIKeyLKNISUUTDKROAW-UHFFFAOYSA-N
XLogP4.24
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one
CID 162811970
2-(3-benzyl-4-hydroxyphenyl)-5-(1,5-dihydroxypentan-2-yloxy)-3,7-dihydroxychromen-4-one
CID 163080562
2-(3-benzyl-4-hydroxyphenyl)-5-[(2R)-1,5-dihydroxypentan-2-yl]oxy-3,7-dihydroxychromen-4-one
CID 163080563
2-[3-benzyl-4-hydroxy-5-(2-methylpropyl)phenyl]-3,7-dihydroxy-5-(3-hydroxypropoxy)chromen-4-one
CID 162802981
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 56670810
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
2-[3-benzyl-4-hydroxy-5-(2-methylpropyl)phenyl]-3,7-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)propoxy]chromen-4-one
CID 162992074
pyrrolidine;3,5,7-trihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 174605613
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
3,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxychromen-4-one
CID 10573935

Frequently Asked Questions

What is the IUPAC name of 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one?
The IUPAC name of 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one (CID 163052038) is 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one.
What is the SMILES notation for 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one?
The canonical SMILES for 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one is O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)c3c(c12)OC(CCO)CC3.
What is the InChIKey of 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one?
The InChIKey is LKNISUUTDKROAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O7/c28-11-10-18-7-8-19-21(30)14-22-23(27(19)33-18)24(31)25(32)26(34-22)16-6-9-20(29)17(13-16)12-15-4-2-1-3-5-15/h1-6,9,13-14,18,28-30,32H,7-8,10-12H2.
What are the key properties of 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one?
8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one has a molecular weight of 460.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one is sourced from PubChem (CID 163052038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).