(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene

C19H16 — CID 91281470

IUPAC(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
SMILESC#CC(C#Cc1ccccc1)(CC)c1ccccc1
InChIInChI=1S/C19H16/c1-3-19(4-2,18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h1,5-14H,4H2,2H3
InChIKeyJKWRHSIQELEAGM-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.02
Rot. Bonds2

About (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene

(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene (PubChem CID 91281470) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene.

Molecular Properties

Compound Name(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
PubChem CID91281470
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
SMILESC#CC(C#Cc1ccccc1)(CC)c1ccccc1
InChIInChI=1S/C19H16/c1-3-19(4-2,18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h1,5-14H,4H2,2H3
InChIKeyJKWRHSIQELEAGM-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
CID 163297447
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
(3-benzyl-3-methylpenta-1,4-diynyl)benzene
CID 173077955
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
3-hydroxy-2,2-dimethyl-3,5-diphenylpent-4-ynoic acid
CID 102106699
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene?
The IUPAC name of (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene (CID 91281470) is (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene.
What is the SMILES notation for (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene?
The canonical SMILES for (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene is C#CC(C#Cc1ccccc1)(CC)c1ccccc1.
What is the InChIKey of (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene?
The InChIKey is JKWRHSIQELEAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-3-19(4-2,18-13-9-6-10-14-18)16-15-17-11-7-5-8-12-17/h1,5-14H,4H2,2H3.
What are the key properties of (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene?
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene has a molecular weight of 244.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene is sourced from PubChem (CID 91281470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).