3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol

C18H16O2 — CID 67785197

IUPAC3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
SMILESC=CC(O)(C#Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H16O2/c1-3-18(19,14-13-15-7-5-4-6-8-15)16-9-11-17(20-2)12-10-16/h3-12,19H,1H2,2H3
InChIKeyBDZJAGADLSUHBX-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.12
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol

3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol (PubChem CID 67785197) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
PubChem CID67785197
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
SMILESC=CC(O)(C#Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H16O2/c1-3-18(19,14-13-15-7-5-4-6-8-15)16-9-11-17(20-2)12-10-16/h3-12,19H,1H2,2H3
InChIKeyBDZJAGADLSUHBX-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(4-methoxyphenyl)-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-yn-1-ol
CID 11144141
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-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
1-methoxy-4-(2-phenylethynoxy)benzene
CID 154395272
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
CID 40500418
1-methoxy-4-(2-methylidene-4-phenylbut-3-ynoxy)benzene
CID 132594546
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 147108243

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol (CID 67785197) is 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol is C=CC(O)(C#Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol?
The InChIKey is BDZJAGADLSUHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-18(19,14-13-15-7-5-4-6-8-15)16-9-11-17(20-2)12-10-16/h3-12,19H,1H2,2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol?
3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol has a molecular weight of 264.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 67785197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).