2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol

C19H22O8 — CID 163154648

IUPAC2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCc1cc(O)cc(Oc2cc(C)cc(OC3OC(CO)C(O)C3O)c2O)c1
InChIInChI=1S/C19H22O8/c1-9-3-11(21)7-12(4-9)25-13-5-10(2)6-14(16(13)22)26-19-18(24)17(23)15(8-20)27-19/h3-7,15,17-24H,8H2,1-2H3
InChIKeyOQHNFIBVUMARNI-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.32
Rot. Bonds5

About 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol

2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 163154648) has the molecular formula C19H22O8 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID163154648
Molecular FormulaC19H22O8
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCc1cc(O)cc(Oc2cc(C)cc(OC3OC(CO)C(O)C3O)c2O)c1
InChIInChI=1S/C19H22O8/c1-9-3-11(21)7-12(4-9)25-13-5-10(2)6-14(16(13)22)26-19-18(24)17(23)15(8-20)27-19/h3-7,15,17-24H,8H2,1-2H3
InChIKeyOQHNFIBVUMARNI-UHFFFAOYSA-N
XLogP1.32
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol (CID 163154648) is 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol is Cc1cc(O)cc(Oc2cc(C)cc(OC3OC(CO)C(O)C3O)c2O)c1.
What is the InChIKey of 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OQHNFIBVUMARNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O8/c1-9-3-11(21)7-12(4-9)25-13-5-10(2)6-14(16(13)22)26-19-18(24)17(23)15(8-20)27-19/h3-7,15,17-24H,8H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 378.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 163154648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).