2-(1-methylcyclopropyl)ethylbenzene

C12H16 — CID 18548209

IUPAC2-(1-methylcyclopropyl)ethylbenzene
SMILESCC1(CCc2ccccc2)CC1
InChIInChI=1S/C12H16/c1-12(9-10-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyDLAMXDCWOBKFAH-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.42
Rot. Bonds3

About 2-(1-methylcyclopropyl)ethylbenzene

2-(1-methylcyclopropyl)ethylbenzene (PubChem CID 18548209) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)ethylbenzene.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)ethylbenzene
PubChem CID18548209
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name2-(1-methylcyclopropyl)ethylbenzene
SMILESCC1(CCc2ccccc2)CC1
InChIInChI=1S/C12H16/c1-12(9-10-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyDLAMXDCWOBKFAH-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)ethylbenzene?
The IUPAC name of 2-(1-methylcyclopropyl)ethylbenzene (CID 18548209) is 2-(1-methylcyclopropyl)ethylbenzene.
What is the SMILES notation for 2-(1-methylcyclopropyl)ethylbenzene?
The canonical SMILES for 2-(1-methylcyclopropyl)ethylbenzene is CC1(CCc2ccccc2)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)ethylbenzene?
The InChIKey is DLAMXDCWOBKFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-12(9-10-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)ethylbenzene?
2-(1-methylcyclopropyl)ethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)ethylbenzene is sourced from PubChem (CID 18548209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).