[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate

C15H20O2 — CID 102001590

IUPAC[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
SMILESCC(=O)OC[C@]1(c2ccccc2)CCC[C@H]1C
InChIInChI=1S/C15H20O2/c1-12-7-6-10-15(12,11-17-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyXQSRFBIFDRHIHL-IUODEOHRSA-N
MW232.32 g/mol
LogP3.31
Rot. Bonds3

About [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate

[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate (PubChem CID 102001590) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
PubChem CID102001590
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
SMILESCC(=O)OC[C@]1(c2ccccc2)CCC[C@H]1C
InChIInChI=1S/C15H20O2/c1-12-7-6-10-15(12,11-17-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyXQSRFBIFDRHIHL-IUODEOHRSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R)-2-methyl-1-phenylcyclopentyl]propan-2-one
CID 102001586
(2S)-1-[(1R,2S)-2-methyl-1-phenylcyclopentyl]propan-2-ol
CID 10856964
(2-phenylpiperidin-2-yl)methyl acetate
CID 141381803
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
ethyl 2-(3-aminopropyl)-2-phenylcyclopentane-1-carboxylate
CID 21330521
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate
CID 132837270
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
[1-(4-tert-butylphenyl)-2-methylcyclopentyl]methanamine
CID 79679335
1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469612

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate?
The IUPAC name of [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate (CID 102001590) is [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate.
What is the SMILES notation for [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate?
The canonical SMILES for [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate is CC(=O)OC[C@]1(c2ccccc2)CCC[C@H]1C.
What is the InChIKey of [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate?
The InChIKey is XQSRFBIFDRHIHL-IUODEOHRSA-N. The full InChI is InChI=1S/C15H20O2/c1-12-7-6-10-15(12,11-17-13(2)16)14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate?
[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate has a molecular weight of 232.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate is sourced from PubChem (CID 102001590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).