2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione

C15H12O6 — CID 122377232

IUPAC2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione
SMILESCc1cc2c(c(=O)o1)C(=O)C(C(O)c1cccc(O)c1)O2
InChIInChI=1S/C15H12O6/c1-7-5-10-11(15(19)20-7)13(18)14(21-10)12(17)8-3-2-4-9(16)6-8/h2-6,12,14,16-17H,1H3
InChIKeyUZHYRUXLKDKMKC-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.33
Rot. Bonds2

About 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione

2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione (PubChem CID 122377232) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione.

Molecular Properties

Compound Name2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione
PubChem CID122377232
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione
SMILESCc1cc2c(c(=O)o1)C(=O)C(C(O)c1cccc(O)c1)O2
InChIInChI=1S/C15H12O6/c1-7-5-10-11(15(19)20-7)13(18)14(21-10)12(17)8-3-2-4-9(16)6-8/h2-6,12,14,16-17H,1H3
InChIKeyUZHYRUXLKDKMKC-UHFFFAOYSA-N
XLogP1.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-bromophenyl)-hydroxymethyl]-6-methylfuro[3,2-c]pyran-3,4-dione
CID 122377237
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one
CID 54677203
(2S,3R,4R)-3,4-dihydroxy-7-methyl-2-phenyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 101151989
methyl (3R)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-hydroxyphenyl)propanoate
CID 97423901
4-hydroxy-3-[(7S)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methylpyran-2-one
CID 135726775
3-[hydroxy(morpholin-2-yl)methyl]phenol
CID 84676784
4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
CID 54720674
3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
3-[hydroxy(methylamino)methyl]phenol
CID 14302211
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione?
The IUPAC name of 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione (CID 122377232) is 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione.
What is the SMILES notation for 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione?
The canonical SMILES for 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione is Cc1cc2c(c(=O)o1)C(=O)C(C(O)c1cccc(O)c1)O2.
What is the InChIKey of 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione?
The InChIKey is UZHYRUXLKDKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-7-5-10-11(15(19)20-7)13(18)14(21-10)12(17)8-3-2-4-9(16)6-8/h2-6,12,14,16-17H,1H3.
What are the key properties of 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione?
2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione has a molecular weight of 288.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(3-hydroxyphenyl)methyl]-6-methylfuro[3,2-c]pyran-3,4-dione is sourced from PubChem (CID 122377232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).