[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene

C15H22O — CID 10878630

IUPAC[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
SMILESCC(C)(C)[C@@H]1C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H22O/c1-15(2,3)14-9-13(14)11-16-10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyQOJJBLATYRICEE-UONOGXRCSA-N
MW218.34 g/mol
LogP3.89
Rot. Bonds4

About [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene

[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene (PubChem CID 10878630) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
PubChem CID10878630
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
SMILESCC(C)(C)[C@@H]1C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H22O/c1-15(2,3)14-9-13(14)11-16-10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyQOJJBLATYRICEE-UONOGXRCSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
CID 100952584
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
CID 135036909
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene?
The IUPAC name of [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene (CID 10878630) is [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene.
What is the SMILES notation for [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene?
The canonical SMILES for [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene is CC(C)(C)[C@@H]1C[C@H]1COCc1ccccc1.
What is the InChIKey of [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene?
The InChIKey is QOJJBLATYRICEE-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22O/c1-15(2,3)14-9-13(14)11-16-10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene?
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene has a molecular weight of 218.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene is sourced from PubChem (CID 10878630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).