(2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one

C16H14O7 — CID 162894769

IUPAC(2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one
SMILESCOc1cc(O)cc2c1C(=O)[C@](O)(Cc1ccc(O)cc1O)O2
InChIInChI=1S/C16H14O7/c1-22-12-5-10(18)6-13-14(12)15(20)16(21,23-13)7-8-2-3-9(17)4-11(8)19/h2-6,17-19,21H,7H2,1H3/t16-/m0/s1
InChIKeySSZOYXMBQZAJMD-INIZCTEOSA-N
MW318.28 g/mol
LogP1.32
Rot. Bonds3

About (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one

(2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one (PubChem CID 162894769) has the molecular formula C16H14O7 and a molecular weight of 318.28 g/mol. Its IUPAC name is (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one
PubChem CID162894769
Molecular FormulaC16H14O7
Molecular Weight318.28 g/mol
Exact Mass318.07
IUPAC Name(2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one
SMILESCOc1cc(O)cc2c1C(=O)[C@](O)(Cc1ccc(O)cc1O)O2
InChIInChI=1S/C16H14O7/c1-22-12-5-10(18)6-13-14(12)15(20)16(21,23-13)7-8-2-3-9(17)4-11(8)19/h2-6,17-19,21H,7H2,1H3/t16-/m0/s1
InChIKeySSZOYXMBQZAJMD-INIZCTEOSA-N
XLogP1.32
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one
CID 154123600
(2R)-2,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-benzofuran-3-one
CID 163076721
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
3,3,5,7-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-chromen-4-one
CID 146681561
4-ethylbenzene-1,3-diol
CID 17927
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
CID 101110303
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
(3R)-3-[(3,4-dimethoxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
CID 102319604
(3S,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
CID 162989813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one?
The IUPAC name of (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one (CID 162894769) is (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one.
What is the SMILES notation for (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one?
The canonical SMILES for (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one is COc1cc(O)cc2c1C(=O)[C@](O)(Cc1ccc(O)cc1O)O2.
What is the InChIKey of (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one?
The InChIKey is SSZOYXMBQZAJMD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14O7/c1-22-12-5-10(18)6-13-14(12)15(20)16(21,23-13)7-8-2-3-9(17)4-11(8)19/h2-6,17-19,21H,7H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one?
(2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one has a molecular weight of 318.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 162894769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).