methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate

C17H24O3 — CID 83923519

IUPACmethyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1c(C)cc(O)cc1C
InChIInChI=1S/C17H24O3/c1-5-12(8-13-9-15(13)17(19)20-4)16-10(2)6-14(18)7-11(16)3/h6-7,12-13,15,18H,5,8-9H2,1-4H3
InChIKeyLXKDXBYELDOBDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.70
Rot. Bonds5

About methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate (PubChem CID 83923519) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
PubChem CID83923519
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1c(C)cc(O)cc1C
InChIInChI=1S/C17H24O3/c1-5-12(8-13-9-15(13)17(19)20-4)16-10(2)6-14(18)7-11(16)3/h6-7,12-13,15,18H,5,8-9H2,1-4H3
InChIKeyLXKDXBYELDOBDX-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
CID 83940165
2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83923523
methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
CID 83924997
methyl 2-[2-(5-bromo-2-fluorophenyl)butyl]cyclopropane-1-carboxylate
CID 83933943
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
methyl 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83940553
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate (CID 83923519) is methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate is CCC(CC1CC1C(=O)OC)c1c(C)cc(O)cc1C.
What is the InChIKey of methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
The InChIKey is LXKDXBYELDOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-12(8-13-9-15(13)17(19)20-4)16-10(2)6-14(18)7-11(16)3/h6-7,12-13,15,18H,5,8-9H2,1-4H3.
What are the key properties of methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83923519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).