tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate

C20H28O4 — CID 156782030

IUPACtert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate
SMILESCc1ccc(C2CCCOC2)c(OC2(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C20H28O4/c1-14-7-8-16(15-6-5-11-22-13-15)17(12-14)23-20(9-10-20)18(21)24-19(2,3)4/h7-8,12,15H,5-6,9-11,13H2,1-4H3
InChIKeyZIDMVHVTVZPWET-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate

tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate (PubChem CID 156782030) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate
PubChem CID156782030
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Nametert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate
SMILESCc1ccc(C2CCCOC2)c(OC2(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C20H28O4/c1-14-7-8-16(15-6-5-11-22-13-15)17(12-14)23-20(9-10-20)18(21)24-19(2,3)4/h7-8,12,15H,5-6,9-11,13H2,1-4H3
InChIKeyZIDMVHVTVZPWET-UHFFFAOYSA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate
CID 156781895
1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide
CID 175949736
tert-butyl 1-(5-chloro-2-spiro[3.3]hept-2-en-2-ylphenoxy)cyclopropane-1-carboxylate
CID 156782014
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 146389218
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 162713327
1-(2-cyclopropyl-5-methylphenoxy)-N-[[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782087
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
(2-bromo-5-methylphenyl)-(oxan-3-yl)methanone
CID 107138551
(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
CID 175156246
3-[4-bromo-2-(trifluoromethyl)phenyl]oxane
CID 155896673

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate (CID 156782030) is tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate is Cc1ccc(C2CCCOC2)c(OC2(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate?
The InChIKey is ZIDMVHVTVZPWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c1-14-7-8-16(15-6-5-11-22-13-15)17(12-14)23-20(9-10-20)18(21)24-19(2,3)4/h7-8,12,15H,5-6,9-11,13H2,1-4H3.
What are the key properties of tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate?
tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 156782030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).