[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene

C14H20O2 — CID 101022105

IUPAC[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
SMILESCO[C@]1(C)CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-14(15-2)10-6-9-13(14)16-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyILAOPWIMZQFALO-ZIAGYGMSSA-N
MW220.31 g/mol
LogP3.16
Rot. Bonds4

About [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene

[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene (PubChem CID 101022105) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
PubChem CID101022105
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
SMILESCO[C@]1(C)CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-14(15-2)10-6-9-13(14)16-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyILAOPWIMZQFALO-ZIAGYGMSSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-7-phenylmethoxyspiro[2.4]heptane
CID 165043739
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
(1R,2S,5S)-5-methoxy-1-methyl-2-phenylmethoxy-9-oxabicyclo[3.3.1]nonane
CID 67906969
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(3R,4S)-3,7,7-trimethyl-4-phenylmethoxyoxepan-3-ol
CID 11311604
(1S,4R,5R)-7,7-dimethoxy-1,5-dimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-one
CID 10543686
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
9-phenylmethoxy-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75244463
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100854
trans-(2R,3S)-2-methyl-3-phenylmethoxy-2-[(Z)-prop-1-enyl]cyclohexan-1-one
CID 10658885

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene?
The IUPAC name of [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene (CID 101022105) is [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene?
The canonical SMILES for [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene is CO[C@]1(C)CCC[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene?
The InChIKey is ILAOPWIMZQFALO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(15-2)10-6-9-13(14)16-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene?
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene is sourced from PubChem (CID 101022105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).