ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate

C14H18O3 — CID 90118005

IUPACethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(O)c(C)c1C
InChIInChI=1S/C14H18O3/c1-4-17-14(16)12-7-11(12)10-5-6-13(15)9(3)8(10)2/h5-6,11-12,15H,4,7H2,1-3H3
InChIKeyWZGXLHJPOKPPIP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.68
Rot. Bonds3

About ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate

ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate (PubChem CID 90118005) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
PubChem CID90118005
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(O)c(C)c1C
InChIInChI=1S/C14H18O3/c1-4-17-14(16)12-7-11(12)10-5-6-13(15)9(3)8(10)2/h5-6,11-12,15H,4,7H2,1-3H3
InChIKeyWZGXLHJPOKPPIP-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate (CID 90118005) is ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(O)c(C)c1C.
What is the InChIKey of ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate?
The InChIKey is WZGXLHJPOKPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-17-14(16)12-7-11(12)10-5-6-13(15)9(3)8(10)2/h5-6,11-12,15H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate?
ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90118005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).