ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate

C20H20F2O3 — CID 59455542

IUPACethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C20H20F2O3/c1-2-24-19(23)11-14-8-16(14)15-9-17(21)20(18(22)10-15)25-12-13-6-4-3-5-7-13/h3-7,9-10,14,16H,2,8,11-12H2,1H3
InChIKeyHMCACSZKBYJHLM-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.60
Rot. Bonds7

About ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate

ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate (PubChem CID 59455542) has the molecular formula C20H20F2O3 and a molecular weight of 346.37 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
PubChem CID59455542
Molecular FormulaC20H20F2O3
Molecular Weight346.37 g/mol
Exact Mass346.14
IUPAC Nameethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C20H20F2O3/c1-2-24-19(23)11-14-8-16(14)15-9-17(21)20(18(22)10-15)25-12-13-6-4-3-5-7-13/h3-7,9-10,14,16H,2,8,11-12H2,1H3
InChIKeyHMCACSZKBYJHLM-UHFFFAOYSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
CID 58566544
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
CID 59988842
ethyl 3,5-difluoro-2-iodo-4-phenylmethoxybenzoate
CID 137378527
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate
CID 20817473
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate
CID 20817474
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate (CID 59455542) is ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate is CCOC(=O)CC1CC1c1cc(F)c(OCc2ccccc2)c(F)c1.
What is the InChIKey of ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate?
The InChIKey is HMCACSZKBYJHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O3/c1-2-24-19(23)11-14-8-16(14)15-9-17(21)20(18(22)10-15)25-12-13-6-4-3-5-7-13/h3-7,9-10,14,16H,2,8,11-12H2,1H3.
What are the key properties of ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate?
ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate has a molecular weight of 346.37 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate is sourced from PubChem (CID 59455542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).