2,4-dichloro-6-(2-phenylethynyl)phenol

C14H8Cl2O — CID 11499915

IUPAC2,4-dichloro-6-(2-phenylethynyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1C#Cc1ccccc1
InChIInChI=1S/C14H8Cl2O/c15-12-8-11(14(17)13(16)9-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H
InChIKeyAZEVTHKNUXBCGH-UHFFFAOYSA-N
MW263.12 g/mol
LogP4.10
Rot. Bonds

About 2,4-dichloro-6-(2-phenylethynyl)phenol

2,4-dichloro-6-(2-phenylethynyl)phenol (PubChem CID 11499915) has the molecular formula C14H8Cl2O and a molecular weight of 263.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-phenylethynyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(2-phenylethynyl)phenol
PubChem CID11499915
Molecular FormulaC14H8Cl2O
Molecular Weight263.12 g/mol
Exact Mass262.00
IUPAC Name2,4-dichloro-6-(2-phenylethynyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1C#Cc1ccccc1
InChIInChI=1S/C14H8Cl2O/c15-12-8-11(14(17)13(16)9-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H
InChIKeyAZEVTHKNUXBCGH-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(2-phenylethynyl)naphthalen-1-yl]-3-(2-phenylethynyl)naphthalen-2-ol
CID 12036498
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
4-chloro-5-(2-phenylethynyl)benzene-1,2-diamine
CID 58387126
2-(2-phenylethynyltellanyl)ethynylbenzene
CID 10936402
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
CID 82885550
4-chloro-1-methoxy-2-(2-phenylethynyl)benzene
CID 72711446
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-phenylethynylbenzene;dihydrochloride
CID 174927104
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol
CID 15501063
(E)-1-[4-chloro-2-(2-phenylethynyl)phenyl]-3-phenylprop-2-en-1-one
CID 151021949

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-phenylethynyl)phenol?
The IUPAC name of 2,4-dichloro-6-(2-phenylethynyl)phenol (CID 11499915) is 2,4-dichloro-6-(2-phenylethynyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(2-phenylethynyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(2-phenylethynyl)phenol is Oc1c(Cl)cc(Cl)cc1C#Cc1ccccc1.
What is the InChIKey of 2,4-dichloro-6-(2-phenylethynyl)phenol?
The InChIKey is AZEVTHKNUXBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O/c15-12-8-11(14(17)13(16)9-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H.
What are the key properties of 2,4-dichloro-6-(2-phenylethynyl)phenol?
2,4-dichloro-6-(2-phenylethynyl)phenol has a molecular weight of 263.12 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-phenylethynyl)phenol is sourced from PubChem (CID 11499915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).