ethyl cyclopropanecarboxylate;3-methylphenol

C13H18O3 — CID 144863890

IUPACethyl cyclopropanecarboxylate;3-methylphenol
SMILESCCOC(=O)C1CC1.Cc1cccc(O)c1
InChIInChI=1S/C7H8O.C6H10O2/c1-6-3-2-4-7(8)5-6;1-2-8-6(7)5-3-4-5/h2-5,8H,1H3;5H,2-4H2,1H3
InChIKeyHXCPWRLFGOBCLX-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.66
Rot. Bonds2

About ethyl cyclopropanecarboxylate;3-methylphenol

ethyl cyclopropanecarboxylate;3-methylphenol (PubChem CID 144863890) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl cyclopropanecarboxylate;3-methylphenol.

Molecular Properties

Compound Nameethyl cyclopropanecarboxylate;3-methylphenol
PubChem CID144863890
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl cyclopropanecarboxylate;3-methylphenol
SMILESCCOC(=O)C1CC1.Cc1cccc(O)c1
InChIInChI=1S/C7H8O.C6H10O2/c1-6-3-2-4-7(8)5-6;1-2-8-6(7)5-3-4-5/h2-5,8H,1H3;5H,2-4H2,1H3
InChIKeyHXCPWRLFGOBCLX-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylphenol;pentan-3-one
CID 174814011
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[(3-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108895693
ethyl 4-hydroxy-4-[(3-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxylate
CID 106498084
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
3-methylphenol
CID 67925627
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
(3-ethylphenyl)methyl cyclopropanecarboxylate
CID 137495375

Frequently Asked Questions

What is the IUPAC name of ethyl cyclopropanecarboxylate;3-methylphenol?
The IUPAC name of ethyl cyclopropanecarboxylate;3-methylphenol (CID 144863890) is ethyl cyclopropanecarboxylate;3-methylphenol.
What is the SMILES notation for ethyl cyclopropanecarboxylate;3-methylphenol?
The canonical SMILES for ethyl cyclopropanecarboxylate;3-methylphenol is CCOC(=O)C1CC1.Cc1cccc(O)c1.
What is the InChIKey of ethyl cyclopropanecarboxylate;3-methylphenol?
The InChIKey is HXCPWRLFGOBCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H10O2/c1-6-3-2-4-7(8)5-6;1-2-8-6(7)5-3-4-5/h2-5,8H,1H3;5H,2-4H2,1H3.
What are the key properties of ethyl cyclopropanecarboxylate;3-methylphenol?
ethyl cyclopropanecarboxylate;3-methylphenol has a molecular weight of 222.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopropanecarboxylate;3-methylphenol is sourced from PubChem (CID 144863890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).