6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one

C14H16O7 — CID 14463063

IUPAC6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccc(O)cc2)C2(OCC(O)C(O)C2O)O1
InChIInChI=1S/C14H16O7/c15-8-3-1-7(2-4-8)9-5-11(17)21-14(9)13(19)12(18)10(16)6-20-14/h1-4,9-10,12-13,15-16,18-19H,5-6H2
InChIKeyIHDOLRGPTCMAHH-UHFFFAOYSA-N
MW296.27 g/mol
LogP-0.77
Rot. Bonds1

About 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one

6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one (PubChem CID 14463063) has the molecular formula C14H16O7 and a molecular weight of 296.27 g/mol. Its IUPAC name is 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one
PubChem CID14463063
Molecular FormulaC14H16O7
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccc(O)cc2)C2(OCC(O)C(O)C2O)O1
InChIInChI=1S/C14H16O7/c15-8-3-1-7(2-4-8)9-5-11(17)21-14(9)13(19)12(18)10(16)6-20-14/h1-4,9-10,12-13,15-16,18-19H,5-6H2
InChIKeyIHDOLRGPTCMAHH-UHFFFAOYSA-N
XLogP-0.77
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 14132342
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7-O-coumaroyl-loganic acid
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(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,7,7aalpha-tetrahydro-7beta-hydroxy-7-[[[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid
CID 56776351
Gaertneroside
CID 44559436
beta-D-Fructofuranosyl 6-O-(4-hydroxybenzoyl)-alpha-D-glucopyranoside
CID 10813903
Pagoside
CID 45783209
Npc326688
CID 124202072
4-Coumaroylshikimate
CID 25245116
4-Coumaroylshikimic acid
CID 5280555
Taraxacoside
CID 131750952

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one?
The IUPAC name of 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one (CID 14463063) is 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one is O=C1CC(c2ccc(O)cc2)C2(OCC(O)C(O)C2O)O1.
What is the InChIKey of 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one?
The InChIKey is IHDOLRGPTCMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7/c15-8-3-1-7(2-4-8)9-5-11(17)21-14(9)13(19)12(18)10(16)6-20-14/h1-4,9-10,12-13,15-16,18-19H,5-6H2.
What are the key properties of 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one?
6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one has a molecular weight of 296.27 g/mol, XLogP of -0.77, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trihydroxy-4-(4-hydroxyphenyl)-1,10-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 14463063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).