2-(2-benzyl-3-methylcyclopropyl)ethylbenzene

C19H22 — CID 91113626

IUPAC2-(2-benzyl-3-methylcyclopropyl)ethylbenzene
SMILESCC1C(CCc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C19H22/c1-15-18(13-12-16-8-4-2-5-9-16)19(15)14-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3
InChIKeyJRGWHRBQHCAVPT-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.74
Rot. Bonds5

About 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene

2-(2-benzyl-3-methylcyclopropyl)ethylbenzene (PubChem CID 91113626) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene.

Molecular Properties

Compound Name2-(2-benzyl-3-methylcyclopropyl)ethylbenzene
PubChem CID91113626
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name2-(2-benzyl-3-methylcyclopropyl)ethylbenzene
SMILESCC1C(CCc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C19H22/c1-15-18(13-12-16-8-4-2-5-9-16)19(15)14-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3
InChIKeyJRGWHRBQHCAVPT-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,3,4-trimethylcyclobutyl)methylbenzene
CID 90929124
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
benzene;2-phenylethylbenzene
CID 18982764
(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
CID 174151377
ethane;methane;2-phenylethylbenzene
CID 158652330
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250
2,4,6-tribenzyl-1,3,5-trithiane
CID 15804274
bicyclo[2.2.1]hepta-2,5-diene;propylbenzene
CID 175311370
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
hafnium;2-phenylethylbenzene
CID 173109801
(3S,7R,8R,9S)-3-amino-7-benzyl-9-methyl-8-(2-phenylethyl)-1,5-dioxonan-2-one
CID 118653490
2-[5-benzyl-4-(2-phenylethyl)pyrrolidin-3-yl]ethanol
CID 174336287

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene?
The IUPAC name of 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene (CID 91113626) is 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene.
What is the SMILES notation for 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene?
The canonical SMILES for 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene is CC1C(CCc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene?
The InChIKey is JRGWHRBQHCAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-15-18(13-12-16-8-4-2-5-9-16)19(15)14-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3.
What are the key properties of 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene?
2-(2-benzyl-3-methylcyclopropyl)ethylbenzene has a molecular weight of 250.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-methylcyclopropyl)ethylbenzene is sourced from PubChem (CID 91113626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).