2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione

C19H14O6 — CID 139590812

IUPAC2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOc1ccc(C2=C(O)C(=O)C(c3ccc(O)cc3)=C(O)C2=O)cc1
InChIInChI=1S/C19H14O6/c1-25-13-8-4-11(5-9-13)15-18(23)16(21)14(17(22)19(15)24)10-2-6-12(20)7-3-10/h2-9,20-21,24H,1H3
InChIKeyNOHFZRAPPQBGOI-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.79
Rot. Bonds3

About 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione

2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 139590812) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID139590812
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Name2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
SMILESCOc1ccc(C2=C(O)C(=O)C(c3ccc(O)cc3)=C(O)C2=O)cc1
InChIInChI=1S/C19H14O6/c1-25-13-8-4-11(5-9-13)15-18(23)16(21)14(17(22)19(15)24)10-2-6-12(20)7-3-10/h2-9,20-21,24H,1H3
InChIKeyNOHFZRAPPQBGOI-UHFFFAOYSA-N
XLogP2.79
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

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CID 161219857
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bis(4-methoxyphenol);zirconium(2+);dichloride
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1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
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CID 59354748
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
benzene-1,2-diol;4-methoxyphenol
CID 70292826
3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
CID 583985
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CID 172812844

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione (CID 139590812) is 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione is COc1ccc(C2=C(O)C(=O)C(c3ccc(O)cc3)=C(O)C2=O)cc1.
What is the InChIKey of 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is NOHFZRAPPQBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c1-25-13-8-4-11(5-9-13)15-18(23)16(21)14(17(22)19(15)24)10-2-6-12(20)7-3-10/h2-9,20-21,24H,1H3.
What are the key properties of 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione?
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 338.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 139590812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).