(Z)-4,6-diphenylhex-3-en-5-yn-2-ol

C18H16O — CID 134859358

IUPAC(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
SMILESCC(O)/C=C(\C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O/c1-15(19)14-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11,14-15,19H,1H3/b18-14+
InChIKeyWYVZADKFNXKTRA-NBVRZTHBSA-N
MW248.32 g/mol
LogP3.50
Rot. Bonds2

About (Z)-4,6-diphenylhex-3-en-5-yn-2-ol

(Z)-4,6-diphenylhex-3-en-5-yn-2-ol (PubChem CID 134859358) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is (Z)-4,6-diphenylhex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
PubChem CID134859358
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
SMILESCC(O)/C=C(\C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O/c1-15(19)14-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11,14-15,19H,1H3/b18-14+
InChIKeyWYVZADKFNXKTRA-NBVRZTHBSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.50
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

[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
CID 5378828
[(Z)-2,4-diphenylbut-1-en-3-ynyl]-triphenylphosphanium tetrafluoroborate
CID 139185319
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
CID 101487318
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
CID 101458062
(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene
CID 15201839
[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
CID 155935520
3-(3-phenylprop-2-ynylsulfanyl)butan-2-ol
CID 103520071
1-bromo-4-[(E)-5-methyl-1-(4-methylsulfanylphenyl)hept-3-en-1-yn-3-yl]benzene
CID 134953947
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
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2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109

Frequently Asked Questions

What is the IUPAC name of (Z)-4,6-diphenylhex-3-en-5-yn-2-ol?
The IUPAC name of (Z)-4,6-diphenylhex-3-en-5-yn-2-ol (CID 134859358) is (Z)-4,6-diphenylhex-3-en-5-yn-2-ol.
What is the SMILES notation for (Z)-4,6-diphenylhex-3-en-5-yn-2-ol?
The canonical SMILES for (Z)-4,6-diphenylhex-3-en-5-yn-2-ol is CC(O)/C=C(\C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4,6-diphenylhex-3-en-5-yn-2-ol?
The InChIKey is WYVZADKFNXKTRA-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H16O/c1-15(19)14-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-11,14-15,19H,1H3/b18-14+.
What are the key properties of (Z)-4,6-diphenylhex-3-en-5-yn-2-ol?
(Z)-4,6-diphenylhex-3-en-5-yn-2-ol has a molecular weight of 248.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,6-diphenylhex-3-en-5-yn-2-ol is sourced from PubChem (CID 134859358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).