4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol

C24H14O2 — CID 59887147

IUPAC4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol
SMILESC#Cc1ccc(O)c(C#Cc2ccc(O)c(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C24H14O2/c1-2-18-10-14-23(25)21(16-18)13-9-20-11-15-24(26)22(17-20)12-8-19-6-4-3-5-7-19/h1,3-7,10-11,14-17,25-26H
InChIKeyGRUQUYDHHPZRFO-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.88
Rot. Bonds

About 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol

4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol (PubChem CID 59887147) has the molecular formula C24H14O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol.

Molecular Properties

Compound Name4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol
PubChem CID59887147
Molecular FormulaC24H14O2
Molecular Weight334.37 g/mol
Exact Mass334.10
IUPAC Name4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol
SMILESC#Cc1ccc(O)c(C#Cc2ccc(O)c(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C24H14O2/c1-2-18-10-14-23(25)21(16-18)13-9-20-11-15-24(26)22(17-20)12-8-19-6-4-3-5-7-19/h1,3-7,10-11,14-17,25-26H
InChIKeyGRUQUYDHHPZRFO-UHFFFAOYSA-N
XLogP3.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol
CID 58785375
2-methyl-4-(2-phenylethynyl)phenol
CID 59263622
4-ethynyl-2-phenyl-1-(2-phenylethynyl)benzene
CID 173472168
2-nitro-4-(2-phenylethynyl)phenol
CID 70533673
2,6-bis[2-[3-[2-(2,5-dihydroxyphenyl)ethynyl]phenyl]ethynyl]benzene-1,4-diol
CID 58785377
(1,2-13C2)ethynylbenzene
CID 71309164
2-[2-(4-methylphenyl)ethynyl]phenol
CID 20579578
1-[2-hydroxy-5-(2-phenylethynyl)phenyl]propan-2-one
CID 10901053
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
5-ethynyl-2-methylisoindole-1,3-dione;2-methyl-5-(2-phenylethynyl)isoindole-1,3-dione
CID 160590417
2-amino-4-[6-(3-amino-4-hydroxyphenoxy)-4,8-bis(2-phenylethynyl)naphthalen-2-yl]oxyphenol
CID 139999304
2-[2-(2-hydroxyphenyl)ethynyl]phenol
CID 10560378

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol?
The IUPAC name of 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol (CID 59887147) is 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol.
What is the SMILES notation for 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol?
The canonical SMILES for 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol is C#Cc1ccc(O)c(C#Cc2ccc(O)c(C#Cc3ccccc3)c2)c1.
What is the InChIKey of 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol?
The InChIKey is GRUQUYDHHPZRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O2/c1-2-18-10-14-23(25)21(16-18)13-9-20-11-15-24(26)22(17-20)12-8-19-6-4-3-5-7-19/h1,3-7,10-11,14-17,25-26H.
What are the key properties of 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol?
4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol has a molecular weight of 334.37 g/mol, XLogP of 3.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-[2-[4-hydroxy-3-(2-phenylethynyl)phenyl]ethynyl]phenol is sourced from PubChem (CID 59887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).