ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate

C17H23ClO3 — CID 11688175

IUPACethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C1CCCCCC1
InChIInChI=1S/C17H23ClO3/c1-2-20-17(19)12-21-16-10-9-14(18)11-15(16)13-7-5-3-4-6-8-13/h9-11,13H,2-8,12H2,1H3
InChIKeyMUWUHWLXXDYHFR-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.72
Rot. Bonds5

About ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate

ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate (PubChem CID 11688175) has the molecular formula C17H23ClO3 and a molecular weight of 310.82 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
PubChem CID11688175
Molecular FormulaC17H23ClO3
Molecular Weight310.82 g/mol
Exact Mass310.13
IUPAC Nameethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C1CCCCCC1
InChIInChI=1S/C17H23ClO3/c1-2-20-17(19)12-21-16-10-9-14(18)11-15(16)13-7-5-3-4-6-8-13/h9-11,13H,2-8,12H2,1H3
InChIKeyMUWUHWLXXDYHFR-UHFFFAOYSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 165133464
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CID 17603
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
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2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
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5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide
CID 94370840
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
methyl (4S,5R)-4-[5-chloro-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2214452
2-(4-chloro-2-cyclohexylphenoxy)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 125418862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate (CID 11688175) is ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate is CCOC(=O)COc1ccc(Cl)cc1C1CCCCCC1.
What is the InChIKey of ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate?
The InChIKey is MUWUHWLXXDYHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO3/c1-2-20-17(19)12-21-16-10-9-14(18)11-15(16)13-7-5-3-4-6-8-13/h9-11,13H,2-8,12H2,1H3.
What are the key properties of ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate?
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate has a molecular weight of 310.82 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate is sourced from PubChem (CID 11688175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).