ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate

C15H20O3 — CID 142527026

IUPACethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(CCO)cc2)CC1
InChIInChI=1S/C15H20O3/c1-2-18-14(17)15(8-9-15)11-13-5-3-12(4-6-13)7-10-16/h3-6,16H,2,7-11H2,1H3
InChIKeyWIHMCUIVUQXNHS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.11
Rot. Bonds6

About ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate

ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 142527026) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID142527026
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(CCO)cc2)CC1
InChIInChI=1S/C15H20O3/c1-2-18-14(17)15(8-9-15)11-13-5-3-12(4-6-13)7-10-16/h3-6,16H,2,7-11H2,1H3
InChIKeyWIHMCUIVUQXNHS-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929692
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate
CID 107709953
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
ethyl 1-[2-(4-iodophenyl)ethyl]cyclohexane-1-carboxylate
CID 147282892
ethyl 1-[[4-(2,6-dimethoxyphenyl)phenyl]methyl]-4-oxocyclohexane-1-carboxylate
CID 175660837
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate (CID 142527026) is ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(Cc2ccc(CCO)cc2)CC1.
What is the InChIKey of ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is WIHMCUIVUQXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-14(17)15(8-9-15)11-13-5-3-12(4-6-13)7-10-16/h3-6,16H,2,7-11H2,1H3.
What are the key properties of ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate?
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 142527026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).