2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid

C15H18O6 — CID 117474709

IUPAC2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
SMILESCOc1c2c(c(C(O)C(=O)O)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H18O6/c1-19-13-9-5-3-6-20-12(9)10(11(16)15(17)18)8-4-2-7-21-14(8)13/h11,16H,2-7H2,1H3,(H,17,18)
InChIKeyYHAGAFQGMPXGQG-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.46
Rot. Bonds3

About 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid

2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid (PubChem CID 117474709) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
PubChem CID117474709
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
SMILESCOc1c2c(c(C(O)C(=O)O)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H18O6/c1-19-13-9-5-3-6-20-12(9)10(11(16)15(17)18)8-4-2-7-21-14(8)13/h11,16H,2-7H2,1H3,(H,17,18)
InChIKeyYHAGAFQGMPXGQG-UHFFFAOYSA-N
XLogP1.46
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid (CID 117474709) is 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid is COc1c2c(c(C(O)C(=O)O)c3c1OCCC3)OCCC2.
What is the InChIKey of 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid?
The InChIKey is YHAGAFQGMPXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-19-13-9-5-3-6-20-12(9)10(11(16)15(17)18)8-4-2-7-21-14(8)13/h11,16H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid?
2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid has a molecular weight of 294.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid is sourced from PubChem (CID 117474709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).