2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol

C22H14O4 — CID 58785375

IUPAC2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C#Cc2cccc(C#Cc3cc(O)ccc3O)c2)c1
InChIInChI=1S/C22H14O4/c23-19-8-10-21(25)17(13-19)6-4-15-2-1-3-16(12-15)5-7-18-14-20(24)9-11-22(18)26/h1-3,8-14,23-26H
InChIKeyXFQIXWQZDZSFHX-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.31
Rot. Bonds

About 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol

2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol (PubChem CID 58785375) has the molecular formula C22H14O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol
PubChem CID58785375
Molecular FormulaC22H14O4
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC Name2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C#Cc2cccc(C#Cc3cc(O)ccc3O)c2)c1
InChIInChI=1S/C22H14O4/c23-19-8-10-21(25)17(13-19)6-4-15-2-1-3-16(12-15)5-7-18-14-20(24)9-11-22(18)26/h1-3,8-14,23-26H
InChIKeyXFQIXWQZDZSFHX-UHFFFAOYSA-N
XLogP3.31
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Phenylhydroquinone
CID 14116
2,6-Dimethylhydroquinone
CID 69560
2-(Phenylmethyl)-1,4-benzenediol
CID 74354
Anthracene-1,4,9,10-tetraol
CID 68063
[1,1':3',1''-Terphenyl]-4,4''-diol
CID 667696
3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 44594137
2,6-Diphenylphenol
CID 75512
2-Methyl-6-geranylgeranyl-1,4-benzoquinol
CID 14759579
Siccayne
CID 189063
3-[4-(3-Hydroxyphenyl)phenyl]phenol
CID 21257907
4-Methyl-1,1'':4'',1''''-terphenyl-3,4''''-diol
CID 44543257
2,5-Dibenzylbenzene-1,4-diol
CID 258003

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol?
The IUPAC name of 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol (CID 58785375) is 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol?
The canonical SMILES for 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol is Oc1ccc(O)c(C#Cc2cccc(C#Cc3cc(O)ccc3O)c2)c1.
What is the InChIKey of 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol?
The InChIKey is XFQIXWQZDZSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4/c23-19-8-10-21(25)17(13-19)6-4-15-2-1-3-16(12-15)5-7-18-14-20(24)9-11-22(18)26/h1-3,8-14,23-26H.
What are the key properties of 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol?
2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol has a molecular weight of 342.35 g/mol, XLogP of 3.31, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol is sourced from PubChem (CID 58785375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).