2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone

C18H26O3 — CID 104751738

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
SMILESCOc1ccc(OCC(=O)C2CCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H26O3/c1-18(2,3)15-11-14(20-4)9-10-17(15)21-12-16(19)13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3
InChIKeyQQMWCMFPHJGQMU-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone

2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone (PubChem CID 104751738) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
PubChem CID104751738
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
SMILESCOc1ccc(OCC(=O)C2CCCC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H26O3/c1-18(2,3)15-11-14(20-4)9-10-17(15)21-12-16(19)13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3
InChIKeyQQMWCMFPHJGQMU-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746517
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
4-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-3-ethoxybenzoic acid
CID 20988478

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone (CID 104751738) is 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone is COc1ccc(OCC(=O)C2CCCC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone?
The InChIKey is QQMWCMFPHJGQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-18(2,3)15-11-14(20-4)9-10-17(15)21-12-16(19)13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone?
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone has a molecular weight of 290.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone is sourced from PubChem (CID 104751738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).