[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate

C17H24O3 — CID 97005997

IUPAC[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate
SMILESCOc1cccc([C@H](OC(=O)C2CCC2)C(C)(C)C)c1
InChIInChI=1S/C17H24O3/c1-17(2,3)15(20-16(18)12-7-5-8-12)13-9-6-10-14(11-13)19-4/h6,9-12,15H,5,7-8H2,1-4H3/t15-/m0/s1
InChIKeyZNBDPXYQMPUWQR-HNNXBMFYSA-N
MW276.38 g/mol
LogP4.13
Rot. Bonds4

About [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate

[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate (PubChem CID 97005997) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate
PubChem CID97005997
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate
SMILESCOc1cccc([C@H](OC(=O)C2CCC2)C(C)(C)C)c1
InChIInChI=1S/C17H24O3/c1-17(2,3)15(20-16(18)12-7-5-8-12)13-9-6-10-14(11-13)19-4/h6,9-12,15H,5,7-8H2,1-4H3/t15-/m0/s1
InChIKeyZNBDPXYQMPUWQR-HNNXBMFYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] (3R)-1-carbamoylpiperidine-3-carboxylate
CID 97005998
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate
CID 8019081
[(1S)-1-(3-methoxyphenyl)ethyl] (3R)-oxane-3-carboxylate
CID 97088891
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
CID 175477899

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate?
The IUPAC name of [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate (CID 97005997) is [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate.
What is the SMILES notation for [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate?
The canonical SMILES for [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate is COc1cccc([C@H](OC(=O)C2CCC2)C(C)(C)C)c1.
What is the InChIKey of [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate?
The InChIKey is ZNBDPXYQMPUWQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2,3)15(20-16(18)12-7-5-8-12)13-9-6-10-14(11-13)19-4/h6,9-12,15H,5,7-8H2,1-4H3/t15-/m0/s1.
What are the key properties of [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate?
[(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate has a molecular weight of 276.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-methoxyphenyl)-2,2-dimethylpropyl] cyclobutanecarboxylate is sourced from PubChem (CID 97005997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).