[(1S,2R)-2-methoxycyclopropyl]methylbenzene

C11H14O — CID 100914167

IUPAC[(1S,2R)-2-methoxycyclopropyl]methylbenzene
SMILESCO[C@@H]1C[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H14O/c1-12-11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyXSWSOOIARFUHHY-WDEREUQCSA-N
MW162.23 g/mol
LogP2.26
Rot. Bonds3

About [(1S,2R)-2-methoxycyclopropyl]methylbenzene

[(1S,2R)-2-methoxycyclopropyl]methylbenzene (PubChem CID 100914167) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclopropyl]methylbenzene.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclopropyl]methylbenzene
PubChem CID100914167
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name[(1S,2R)-2-methoxycyclopropyl]methylbenzene
SMILESCO[C@@H]1C[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H14O/c1-12-11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyXSWSOOIARFUHHY-WDEREUQCSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclopropyl]methylbenzene?
The IUPAC name of [(1S,2R)-2-methoxycyclopropyl]methylbenzene (CID 100914167) is [(1S,2R)-2-methoxycyclopropyl]methylbenzene.
What is the SMILES notation for [(1S,2R)-2-methoxycyclopropyl]methylbenzene?
The canonical SMILES for [(1S,2R)-2-methoxycyclopropyl]methylbenzene is CO[C@@H]1C[C@@H]1Cc1ccccc1.
What is the InChIKey of [(1S,2R)-2-methoxycyclopropyl]methylbenzene?
The InChIKey is XSWSOOIARFUHHY-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14O/c1-12-11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(1S,2R)-2-methoxycyclopropyl]methylbenzene?
[(1S,2R)-2-methoxycyclopropyl]methylbenzene has a molecular weight of 162.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclopropyl]methylbenzene is sourced from PubChem (CID 100914167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).