[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol

C17H12O — CID 134949933

IUPAC[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol
SMILESOCc1ccc(C#CC#Cc2ccccc2)cc1
InChIInChI=1S/C17H12O/c18-14-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,14H2
InChIKeyZYZAXQRLBXZBOG-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.58
Rot. Bonds1

About [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol

[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol (PubChem CID 134949933) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol
PubChem CID134949933
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol
SMILESOCc1ccc(C#CC#Cc2ccccc2)cc1
InChIInChI=1S/C17H12O/c18-14-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,14H2
InChIKeyZYZAXQRLBXZBOG-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.58
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

12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
phenylmethanol;zirconium
CID 18688174
1-(4-phenylbuta-1,3-diynyl)-4-propylbenzene
CID 102100558
azane;phenylmethanol;hydrochloride
CID 173141367
1,4-bis[[4-(2-phenylethynyl)phenyl]methyl]benzene
CID 101132302
triphenyl-[[4-(4-phenylbuta-1,3-diynyl)phenyl]methyl]phosphanium iodide
CID 154730921
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
1-benzyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 159007625
ethanol;phenylmethanol;zirconium
CID 150575485
ethane-1,2-diol;phenylmethanol
CID 69228462
methanol;phenylmethanol
CID 19822462

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol?
The IUPAC name of [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol (CID 134949933) is [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol.
What is the SMILES notation for [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol?
The canonical SMILES for [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol is OCc1ccc(C#CC#Cc2ccccc2)cc1.
What is the InChIKey of [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol?
The InChIKey is ZYZAXQRLBXZBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c18-14-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,14H2.
What are the key properties of [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol?
[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol has a molecular weight of 232.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylbuta-1,3-diynyl)phenyl]methanol is sourced from PubChem (CID 134949933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).