1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol

C30H22O2 — CID 11144141

IUPAC1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(C(O)(C#Cc2ccccc2C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H22O2/c1-32-29-20-18-28(19-21-29)30(31,27-14-6-3-7-15-27)23-22-26-13-9-8-12-25(26)17-16-24-10-4-2-5-11-24/h2-15,18-21,31H,1H3
InChIKeyOWNYEJWNJGOWJS-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.38
Rot. Bonds3

About 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol

1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol (PubChem CID 11144141) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol
PubChem CID11144141
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(C(O)(C#Cc2ccccc2C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H22O2/c1-32-29-20-18-28(19-21-29)30(31,27-14-6-3-7-15-27)23-22-26-13-9-8-12-25(26)17-16-24-10-4-2-5-11-24/h2-15,18-21,31H,1H3
InChIKeyOWNYEJWNJGOWJS-UHFFFAOYSA-N
XLogP5.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
1,1-bis(4-bromophenyl)-3-[2-[2-(4-methylphenyl)ethynyl]phenyl]prop-2-yn-1-ol
CID 141425139
3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
CID 67785197
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
1,1,1-trifluoro-4-(4-methoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 132570179
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811
1-[2-[2-[2-(3,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-3,5-dimethoxybenzene
CID 170457008
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
1-methoxy-4-(2-phenylethynoxy)benzene
CID 154395272

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol (CID 11144141) is 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol is COc1ccc(C(O)(C#Cc2ccccc2C#Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol?
The InChIKey is OWNYEJWNJGOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c1-32-29-20-18-28(19-21-29)30(31,27-14-6-3-7-15-27)23-22-26-13-9-8-12-25(26)17-16-24-10-4-2-5-11-24/h2-15,18-21,31H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol?
1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol has a molecular weight of 414.50 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 11144141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).