3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione

C17H12O5 — CID 15054431

IUPAC3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione
SMILESCc1ccc(-c2oc3c(=O)ccccc3c(=O)c2O)c(O)c1
InChIInChI=1S/C17H12O5/c1-9-6-7-10(13(19)8-9)17-15(21)14(20)11-4-2-3-5-12(18)16(11)22-17/h2-8,19,21H,1H3
InChIKeyCZOAGGYFRIKJNZ-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.54
Rot. Bonds1

About 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione

3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione (PubChem CID 15054431) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione
PubChem CID15054431
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione
SMILESCc1ccc(-c2oc3c(=O)ccccc3c(=O)c2O)c(O)c1
InChIInChI=1S/C17H12O5/c1-9-6-7-10(13(19)8-9)17-15(21)14(20)11-4-2-3-5-12(18)16(11)22-17/h2-8,19,21H,1H3
InChIKeyCZOAGGYFRIKJNZ-UHFFFAOYSA-N
XLogP2.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one
CID 10957288
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
3-(2,4-dimethylphenyl)-4-hydroxychromen-2-one
CID 54676463
2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
CID 90775853
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861
4-methyl-2-(2-methyl-1-benzofuran-3-yl)phenol
CID 174914291
8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one
CID 146460462

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione?
The IUPAC name of 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione (CID 15054431) is 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione?
The canonical SMILES for 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione is Cc1ccc(-c2oc3c(=O)ccccc3c(=O)c2O)c(O)c1.
What is the InChIKey of 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione?
The InChIKey is CZOAGGYFRIKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c1-9-6-7-10(13(19)8-9)17-15(21)14(20)11-4-2-3-5-12(18)16(11)22-17/h2-8,19,21H,1H3.
What are the key properties of 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione?
3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione has a molecular weight of 296.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione is sourced from PubChem (CID 15054431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).