(4-benzylcyclobut-2-yn-1-yl)methylbenzene

C18H16 — CID 140793288

IUPAC(4-benzylcyclobut-2-yn-1-yl)methylbenzene
SMILESC1#CC(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)13-17-11-12-18(17)14-16-9-5-2-6-10-16/h1-10,17-18H,13-14H2
InChIKeyUUOCDVVCDAJBKR-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.72
Rot. Bonds4

About (4-benzylcyclobut-2-yn-1-yl)methylbenzene

(4-benzylcyclobut-2-yn-1-yl)methylbenzene (PubChem CID 140793288) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-benzylcyclobut-2-yn-1-yl)methylbenzene.

Molecular Properties

Compound Name(4-benzylcyclobut-2-yn-1-yl)methylbenzene
PubChem CID140793288
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(4-benzylcyclobut-2-yn-1-yl)methylbenzene
SMILESC1#CC(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C18H16/c1-3-7-15(8-4-1)13-17-11-12-18(17)14-16-9-5-2-6-10-16/h1-10,17-18H,13-14H2
InChIKeyUUOCDVVCDAJBKR-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.72
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

2,4,6-tribenzyl-1,3,5-trithiane
CID 15804274
CID 101344537
CID 101344537
(2S)-2-benzyl-2H-azirine
CID 155642978
(3S,4R,5R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 163609613
(2,3,4-trimethylcyclobutyl)methylbenzene
CID 90929124
2,5-dibenzyl-2,5-dihydropyrazine
CID 139215264
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-benzyl-1,2-dihydroazete
CID 145299473
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
(4S,7S)-4,7-dibenzyl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10742121

Frequently Asked Questions

What is the IUPAC name of (4-benzylcyclobut-2-yn-1-yl)methylbenzene?
The IUPAC name of (4-benzylcyclobut-2-yn-1-yl)methylbenzene (CID 140793288) is (4-benzylcyclobut-2-yn-1-yl)methylbenzene.
What is the SMILES notation for (4-benzylcyclobut-2-yn-1-yl)methylbenzene?
The canonical SMILES for (4-benzylcyclobut-2-yn-1-yl)methylbenzene is C1#CC(Cc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of (4-benzylcyclobut-2-yn-1-yl)methylbenzene?
The InChIKey is UUOCDVVCDAJBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-15(8-4-1)13-17-11-12-18(17)14-16-9-5-2-6-10-16/h1-10,17-18H,13-14H2.
What are the key properties of (4-benzylcyclobut-2-yn-1-yl)methylbenzene?
(4-benzylcyclobut-2-yn-1-yl)methylbenzene has a molecular weight of 232.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylcyclobut-2-yn-1-yl)methylbenzene is sourced from PubChem (CID 140793288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).