tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate

C18H24O3 — CID 156781895

IUPACtert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate
SMILESC=C(C)c1ccc(C)cc1OC1(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24O3/c1-12(2)14-8-7-13(3)11-15(14)20-18(9-10-18)16(19)21-17(4,5)6/h7-8,11H,1,9-10H2,2-6H3
InChIKeyMFLMWCVDPDCGJS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate

tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate (PubChem CID 156781895) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate
PubChem CID156781895
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Nametert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate
SMILESC=C(C)c1ccc(C)cc1OC1(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24O3/c1-12(2)14-8-7-13(3)11-15(14)20-18(9-10-18)16(19)21-17(4,5)6/h7-8,11H,1,9-10H2,2-6H3
InChIKeyMFLMWCVDPDCGJS-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxylate
CID 156782030
2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid
CID 71361745
tert-butyl 1-methoxycyclopropane-1-carboxylate
CID 156662901
tert-butyl 1-(5-chloro-2-spiro[3.3]hept-2-en-2-ylphenoxy)cyclopropane-1-carboxylate
CID 156782014
tert-butyl 2-amino-4-(2-methoxy-4-methylphenyl)-4-oxobutanoate
CID 83224632
tert-butyl 4-(2-bromo-4-methylbenzoyl)piperazine-1-carboxylate
CID 168509836
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
CID 166801108
1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
CID 154940980
tert-butyl N-[5-(2-methoxy-4-methylphenyl)-5-oxopentan-2-yl]carbamate
CID 166775930
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate (CID 156781895) is tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate is C=C(C)c1ccc(C)cc1OC1(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate?
The InChIKey is MFLMWCVDPDCGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)14-8-7-13(3)11-15(14)20-18(9-10-18)16(19)21-17(4,5)6/h7-8,11H,1,9-10H2,2-6H3.
What are the key properties of tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate?
tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(5-methyl-2-prop-1-en-2-ylphenoxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 156781895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).