methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate

C14H18O3 — CID 62393481

IUPACmethyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C14H18O3/c1-10(13(15)17-2)14(16,12-8-9-12)11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyNSPDJKDECHQZOI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.09
Rot. Bonds4

About methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate

methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate (PubChem CID 62393481) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate
PubChem CID62393481
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C14H18O3/c1-10(13(15)17-2)14(16,12-8-9-12)11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyNSPDJKDECHQZOI-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropyl-hydroxy-phenylmethyl)butanoate
CID 62395110
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
cyclopropyl-methoxy-phenylmethanol
CID 154503172
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
CID 62375494
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate (CID 62393481) is methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate is COC(=O)C(C)C(O)(c1ccccc1)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate?
The InChIKey is NSPDJKDECHQZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(13(15)17-2)14(16,12-8-9-12)11-6-4-3-5-7-11/h3-7,10,12,16H,8-9H2,1-2H3.
What are the key properties of methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate?
methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate has a molecular weight of 234.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 62393481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).