methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate

C18H26O2 — CID 83928797

IUPACmethyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26O2/c1-12(10-14-11-16(14)17(19)20-5)13-6-8-15(9-7-13)18(2,3)4/h6-9,12,14,16H,10-11H2,1-5H3
InChIKeyNNZBGTRDGNWHKD-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.29
Rot. Bonds4

About methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83928797) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83928797
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Namemethyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26O2/c1-12(10-14-11-16(14)17(19)20-5)13-6-8-15(9-7-13)18(2,3)4/h6-9,12,14,16H,10-11H2,1-5H3
InChIKeyNNZBGTRDGNWHKD-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83928800
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(3-propan-2-ylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927024
methyl 2-[2-(2,3,6-trichlorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925208
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate (CID 83928797) is methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is NNZBGTRDGNWHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12(10-14-11-16(14)17(19)20-5)13-6-8-15(9-7-13)18(2,3)4/h6-9,12,14,16H,10-11H2,1-5H3.
What are the key properties of methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 274.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83928797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).