1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone

C16H22O3 — CID 160940041

IUPAC1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone
SMILESCOc1cc(C[C@@H]2CC[C@@H](C(C)=O)C2)cc(OC)c1
InChIInChI=1S/C16H22O3/c1-11(17)14-5-4-12(7-14)6-13-8-15(18-2)10-16(9-13)19-3/h8-10,12,14H,4-7H2,1-3H3/t12-,14+/m0/s1
InChIKeyRZNRBBVQLYEBBU-GXTWGEPZSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds5

About 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone

1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone (PubChem CID 160940041) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone
PubChem CID160940041
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone
SMILESCOc1cc(C[C@@H]2CC[C@@H](C(C)=O)C2)cc(OC)c1
InChIInChI=1S/C16H22O3/c1-11(17)14-5-4-12(7-14)6-13-8-15(18-2)10-16(9-13)19-3/h8-10,12,14H,4-7H2,1-3H3/t12-,14+/m0/s1
InChIKeyRZNRBBVQLYEBBU-GXTWGEPZSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232
3-[(3,5-dimethoxyphenyl)methyl]-1-methylazetidine
CID 129259528
cis-(1S,2R)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 125472183
1-[(1R,3R)-3-[(3-bromophenyl)methyl]cyclopentyl]ethanone;1-[(1S,3R)-3-[(3-bromophenyl)methyl]-4-hydroxycyclopentyl]ethanone
CID 160647934
N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112234
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 70819195
4-[[3-[(3,5-dimethoxyphenyl)methyl]azetidin-1-yl]methyl]benzoic acid
CID 122035299
2-(3,5-dimethoxyphenyl)-1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171949327
1-[3-[(3,5-dimethoxyphenyl)methyl]azetidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 146134432
cis-ethyl (1R,2S)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylate
CID 125472358
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone (CID 160940041) is 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone is COc1cc(C[C@@H]2CC[C@@H](C(C)=O)C2)cc(OC)c1.
What is the InChIKey of 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone?
The InChIKey is RZNRBBVQLYEBBU-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(17)14-5-4-12(7-14)6-13-8-15(18-2)10-16(9-13)19-3/h8-10,12,14H,4-7H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone?
1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-[(3,5-dimethoxyphenyl)methyl]cyclopentyl]ethanone is sourced from PubChem (CID 160940041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).