[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene

C25H22O — CID 101458062

IUPAC[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
SMILESCOC(C/C=C(\C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O/c1-26-25(24-15-9-4-10-16-24)20-19-23(22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h2-16,19,25H,20H2,1H3/b23-19+
InChIKeyNOBZICCVSSRLRJ-FCDQGJHFSA-N
MW338.45 g/mol
LogP5.90
Rot. Bonds5

About [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene

[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene (PubChem CID 101458062) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene.

Molecular Properties

Compound Name[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
PubChem CID101458062
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
SMILESCOC(C/C=C(\C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O/c1-26-25(24-15-9-4-10-16-24)20-19-23(22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h2-16,19,25H,20H2,1H3/b23-19+
InChIKeyNOBZICCVSSRLRJ-FCDQGJHFSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
CID 134859358
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
CID 101487318
(2-methoxy-2-phenylethyl) thiocyanate
CID 150744738
(2R)-2-methoxy-2-phenylethanol
CID 6950345
2-[[5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 73448058
2-[[(E)-5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 18517080
7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
(3E,6E)-1,3-diphenyl-6-propyldeca-3,6-dien-1-yn-5-one
CID 71769457
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
3-methoxy-3-phenylpropanoic acid
CID 13379217
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene?
The IUPAC name of [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene (CID 101458062) is [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene.
What is the SMILES notation for [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene?
The canonical SMILES for [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene is COC(C/C=C(\C#Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene?
The InChIKey is NOBZICCVSSRLRJ-FCDQGJHFSA-N. The full InChI is InChI=1S/C25H22O/c1-26-25(24-15-9-4-10-16-24)20-19-23(22-13-7-3-8-14-22)18-17-21-11-5-2-6-12-21/h2-16,19,25H,20H2,1H3/b23-19+.
What are the key properties of [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene?
[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene has a molecular weight of 338.45 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene is sourced from PubChem (CID 101458062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).