2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione

C19H14O4 — CID 132524293

IUPAC2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(c2ccccc2O)C(=O)C=C(c2ccccc2)C1=O
InChIInChI=1S/C19H14O4/c1-23-19-17(13-9-5-6-10-15(13)20)16(21)11-14(18(19)22)12-7-3-2-4-8-12/h2-11,20H,1H3
InChIKeyRXMHSLQCQYYUDN-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.99
Rot. Bonds3

About 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione

2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione (PubChem CID 132524293) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione
PubChem CID132524293
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(c2ccccc2O)C(=O)C=C(c2ccccc2)C1=O
InChIInChI=1S/C19H14O4/c1-23-19-17(13-9-5-6-10-15(13)20)16(21)11-14(18(19)22)12-7-3-2-4-8-12/h2-11,20H,1H3
InChIKeyRXMHSLQCQYYUDN-UHFFFAOYSA-N
XLogP2.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-bromo-2,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150862590
5,7-dihydroxy-3-methoxy-2-phenylnaphthalene-1,4-dione
CID 163003257
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
CID 134923819
CID 134923819
2-amino-3,5-diphenylcyclohexa-2,5-diene-1,4-dione
CID 150421175
4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
CID 14226957
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
5-butyl-3-methoxy-2-phenylcyclohexa-2,5-diene-1,4-dione
CID 134924077
2-phenylinden-1-one
CID 10878305
2-phenylanthracene-1,4-dione
CID 165358923

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione (CID 132524293) is 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione is COC1=C(c2ccccc2O)C(=O)C=C(c2ccccc2)C1=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is RXMHSLQCQYYUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-23-19-17(13-9-5-6-10-15(13)20)16(21)11-14(18(19)22)12-7-3-2-4-8-12/h2-11,20H,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione?
2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 306.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-methoxy-5-phenylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 132524293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).