2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol

C16H14O3 — CID 15501063

IUPAC2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol
SMILESOCc1cc(C#Cc2ccccc2)cc(CO)c1O
InChIInChI=1S/C16H14O3/c17-10-14-8-13(9-15(11-18)16(14)19)7-6-12-4-2-1-3-5-12/h1-5,8-9,17-19H,10-11H2
InChIKeyWTFIZFVAIAOBOV-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.78
Rot. Bonds2

About 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol

2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol (PubChem CID 15501063) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol.

Molecular Properties

Compound Name2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol
PubChem CID15501063
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol
SMILESOCc1cc(C#Cc2ccccc2)cc(CO)c1O
InChIInChI=1S/C16H14O3/c17-10-14-8-13(9-15(11-18)16(14)19)7-6-12-4-2-1-3-5-12/h1-5,8-9,17-19H,10-11H2
InChIKeyWTFIZFVAIAOBOV-UHFFFAOYSA-N
XLogP1.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(4-hydroxyphenyl)methyl]-5-(2-phenylethynyl)-2-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]methyl]phenol
CID 130211166
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-amino-2-(hydroxymethyl)propane-1,3-diol;1,3,5-tris(2-phenylethynyl)benzene
CID 134587867
2,6-bis(hydroxymethyl)-4-(2-phenoxyethylsulfanyl)phenol
CID 154252496
2-ethyl-5-(2-phenylethynyl)benzene-1,3-diol
CID 122603261
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-(2-phenylethynyl)azulene
CID 139039957
1-[2-hydroxy-5-(2-phenylethynyl)phenyl]propan-2-one
CID 10901053
1-[2-hydroxy-3-(2-phenylethynyl)naphthalen-1-yl]-3-(2-phenylethynyl)naphthalen-2-ol
CID 12036498
5,11,17,23-tetramethyl-29-(2-phenylethynyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 86039461
4-[3,5-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]phenyl]-2,6-bis(hydroxymethyl)phenol
CID 22095439

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol?
The IUPAC name of 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol (CID 15501063) is 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol.
What is the SMILES notation for 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol?
The canonical SMILES for 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol is OCc1cc(C#Cc2ccccc2)cc(CO)c1O.
What is the InChIKey of 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol?
The InChIKey is WTFIZFVAIAOBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-10-14-8-13(9-15(11-18)16(14)19)7-6-12-4-2-1-3-5-12/h1-5,8-9,17-19H,10-11H2.
What are the key properties of 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol?
2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol has a molecular weight of 254.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hydroxymethyl)-4-(2-phenylethynyl)phenol is sourced from PubChem (CID 15501063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).