2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene

C13H18O — CID 158778090

IUPAC2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
SMILESCC1C[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C13H18O/c1-11-9-13(11)7-8-14-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11?,13-/m0/s1
InChIKeyWTWPARPRTQNQCX-YUZLPWPTSA-N
MW190.29 g/mol
LogP3.25
Rot. Bonds5

About 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene

2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene (PubChem CID 158778090) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene.

Molecular Properties

Compound Name2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
PubChem CID158778090
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
SMILESCC1C[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C13H18O/c1-11-9-13(11)7-8-14-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11?,13-/m0/s1
InChIKeyWTWPARPRTQNQCX-YUZLPWPTSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.25
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

hydroxy-bis[(2-methylpropan-2-yl)oxy]-[(1R,2R)-2-(2-phenylmethoxyethyl)cyclopropyl]silane
CID 101497939
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734
4-chloro-3-(2-phenylmethoxyethyl)oxane
CID 130537120
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine
CID 129015804
(2S,3S,4S,8S,9S,10S)-4,10-dimethyl-2,8-bis(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecane-3,9-diol
CID 11799077
ethane;phenylmethoxymethylbenzene
CID 90943549
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene?
The IUPAC name of 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene (CID 158778090) is 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene.
What is the SMILES notation for 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene?
The canonical SMILES for 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene is CC1C[C@@H]1CCOCc1ccccc1.
What is the InChIKey of 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene?
The InChIKey is WTWPARPRTQNQCX-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H18O/c1-11-9-13(11)7-8-14-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11?,13-/m0/s1.
What are the key properties of 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene?
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene is sourced from PubChem (CID 158778090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).