ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate

C15H20O3 — CID 142526891

IUPACethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(CCO)cc2)C1
InChIInChI=1S/C15H20O3/c1-2-18-15(17)14-9-13(10-14)12-5-3-11(4-6-12)7-8-16/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyNOPXCTVAGHERJN-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.28
Rot. Bonds5

About ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate

ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate (PubChem CID 142526891) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate
PubChem CID142526891
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(c2ccc(CCO)cc2)C1
InChIInChI=1S/C15H20O3/c1-2-18-15(17)14-9-13(10-14)12-5-3-11(4-6-12)7-8-16/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyNOPXCTVAGHERJN-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 4-[4-(methylaminomethyl)phenyl]cyclohexane-1-carboxylate
CID 142495341
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 3-[(4-aminophenyl)methyl]cyclobutane-1-carboxylate
CID 59464168
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46065240
diethyl 5-methylcyclohex-4-ene-1,3-dicarboxylate
CID 66938500
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
ethyl 1-[(1S,5R)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidine-4-carboxylate
CID 90391808
2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 18659034
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
ethyl 9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 155820043

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate (CID 142526891) is ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate is CCOC(=O)C1CC(c2ccc(CCO)cc2)C1.
What is the InChIKey of ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?
The InChIKey is NOPXCTVAGHERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-15(17)14-9-13(10-14)12-5-3-11(4-6-12)7-8-16/h3-6,13-14,16H,2,7-10H2,1H3.
What are the key properties of ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate?
ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 142526891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).