cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate

C14H20O3 — CID 144688794

IUPACcyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
SMILESC1CC1.COC(=O)C(C)Cc1cccc(O)c1
InChIInChI=1S/C11H14O3.C3H6/c1-8(11(13)14-2)6-9-4-3-5-10(12)7-9;1-2-3-1/h3-5,7-8,12H,6H2,1-2H3;1-3H2
InChIKeyKRPGNWGJBXXIRC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.91
Rot. Bonds3

About cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate

cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate (PubChem CID 144688794) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namecyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
PubChem CID144688794
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namecyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
SMILESC1CC1.COC(=O)C(C)Cc1cccc(O)c1
InChIInChI=1S/C11H14O3.C3H6/c1-8(11(13)14-2)6-9-4-3-5-10(12)7-9;1-2-3-1/h3-5,7-8,12H,6H2,1-2H3;1-3H2
InChIKeyKRPGNWGJBXXIRC-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-(3-hydroxyphenyl)propanoate;hydrochloride
CID 11639299
cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate
CID 144899407
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
(2S)-2-acetamido-3-(3-hydroxyphenyl)propanoic acid;methyl (2R)-2-acetamido-3-(3-hydroxyphenyl)propanoate;methyl 2-acetamido-3-(3-hydroxyphenyl)propanoate
CID 159179016
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
methyl (2S)-3-(2-ethyl-4-hydroxyphenyl)-2-methylpropanoate
CID 134580652
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
methyl 3-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]benzoate
CID 14995040
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757

Frequently Asked Questions

What is the IUPAC name of cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate?
The IUPAC name of cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate (CID 144688794) is cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate.
What is the SMILES notation for cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate?
The canonical SMILES for cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate is C1CC1.COC(=O)C(C)Cc1cccc(O)c1.
What is the InChIKey of cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate?
The InChIKey is KRPGNWGJBXXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C3H6/c1-8(11(13)14-2)6-9-4-3-5-10(12)7-9;1-2-3-1/h3-5,7-8,12H,6H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate?
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 144688794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).