(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one

C16H14O6 — CID 163076721

IUPAC(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one
SMILESCOc1ccc(C[C@@]2(O)Oc3cc(O)ccc3C2=O)cc1O
InChIInChI=1S/C16H14O6/c1-21-13-5-2-9(6-12(13)18)8-16(20)15(19)11-4-3-10(17)7-14(11)22-16/h2-7,17-18,20H,8H2,1H3/t16-/m1/s1
InChIKeyHBEFLXKTZCXMQU-MRXNPFEDSA-N
MW302.28 g/mol
LogP1.61
Rot. Bonds3

About (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one

(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one (PubChem CID 163076721) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one
PubChem CID163076721
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one
SMILESCOc1ccc(C[C@@]2(O)Oc3cc(O)ccc3C2=O)cc1O
InChIInChI=1S/C16H14O6/c1-21-13-5-2-9(6-12(13)18)8-16(20)15(19)11-4-3-10(17)7-14(11)22-16/h2-7,17-18,20H,8H2,1H3/t16-/m1/s1
InChIKeyHBEFLXKTZCXMQU-MRXNPFEDSA-N
XLogP1.61
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one?
The IUPAC name of (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one (CID 163076721) is (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one.
What is the SMILES notation for (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one?
The canonical SMILES for (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one is COc1ccc(C[C@@]2(O)Oc3cc(O)ccc3C2=O)cc1O.
What is the InChIKey of (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one?
The InChIKey is HBEFLXKTZCXMQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-13-5-2-9(6-12(13)18)8-16(20)15(19)11-4-3-10(17)7-14(11)22-16/h2-7,17-18,20H,8H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one?
(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one has a molecular weight of 302.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one is sourced from PubChem (CID 163076721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).