acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene

C19H23 — CID 143824373

IUPACacetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
SMILESC#C.CC(CCc1ccccc1)Cc1ccccc1.[H]
InChIInChI=1S/C17H20.C2H2.H/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16;1-2;/h2-11,15H,12-14H2,1H3;1-2H;
InChIKeyCAEOFTYEUGSDLE-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.86
Rot. Bonds5

About acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene

acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene (PubChem CID 143824373) has the molecular formula C19H23 and a molecular weight of 251.39 g/mol. Its IUPAC name is acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene.

Molecular Properties

Compound Nameacetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
PubChem CID143824373
Molecular FormulaC19H23
Molecular Weight251.39 g/mol
Exact Mass251.18
IUPAC Nameacetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
SMILESC#C.CC(CCc1ccccc1)Cc1ccccc1.[H]
InChIInChI=1S/C17H20.C2H2.H/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16;1-2;/h2-11,15H,12-14H2,1H3;1-2H;
InChIKeyCAEOFTYEUGSDLE-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.86
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

N-benzyl-2-[(3S)-3-methyl-4-phenylbutyl]aniline
CID 143175520
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
CID 160507683
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene
CID 157066005
ethene;3-methylbutylbenzene
CID 145421013
2-methyl-3-phenylpropane-1-thiol
CID 19981761
(2S)-4-phenylbutan-2-amine
CID 6994564

Frequently Asked Questions

What is the IUPAC name of acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene?
The IUPAC name of acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene (CID 143824373) is acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene.
What is the SMILES notation for acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene?
The canonical SMILES for acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene is C#C.CC(CCc1ccccc1)Cc1ccccc1.[H].
What is the InChIKey of acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene?
The InChIKey is CAEOFTYEUGSDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C2H2.H/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16;1-2;/h2-11,15H,12-14H2,1H3;1-2H;.
What are the key properties of acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene?
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene has a molecular weight of 251.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene is sourced from PubChem (CID 143824373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).