1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene

C15H22O — CID 101342444

IUPAC1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
SMILESCCCCC[C@@H]1C[C@@H]1c1ccccc1OC
InChIInChI=1S/C15H22O/c1-3-4-5-8-12-11-14(12)13-9-6-7-10-15(13)16-2/h6-7,9-10,12,14H,3-5,8,11H2,1-2H3/t12-,14+/m1/s1
InChIKeyOGUADYWCAJQBGV-OCCSQVGLSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds6

About 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene

1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene (PubChem CID 101342444) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
PubChem CID101342444
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
SMILESCCCCC[C@@H]1C[C@@H]1c1ccccc1OC
InChIInChI=1S/C15H22O/c1-3-4-5-8-12-11-14(12)13-9-6-7-10-15(13)16-2/h6-7,9-10,12,14H,3-5,8,11H2,1-2H3/t12-,14+/m1/s1
InChIKeyOGUADYWCAJQBGV-OCCSQVGLSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029380
1-[[2-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2,5-dione
CID 141362765
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
2-ethyl-3-(2-methoxyphenyl)cyclobutan-1-ol
CID 81416655
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol
CID 22215438
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene?
The IUPAC name of 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene (CID 101342444) is 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene?
The canonical SMILES for 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene is CCCCC[C@@H]1C[C@@H]1c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene?
The InChIKey is OGUADYWCAJQBGV-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-5-8-12-11-14(12)13-9-6-7-10-15(13)16-2/h6-7,9-10,12,14H,3-5,8,11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene?
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene has a molecular weight of 218.34 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene is sourced from PubChem (CID 101342444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).