2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid

C21H23FO3 — CID 130386885

IUPAC2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid
SMILESCC(C)Oc1ccc(F)c(-c2ccc(C[C@@H]3C[C@H]3CC(=O)O)cc2)c1
InChIInChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)/t16-,17+/m1/s1
InChIKeyCCSDQCUWNYPIFZ-SJORKVTESA-N
MW342.41 g/mol
LogP4.93
Rot. Bonds7

About 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid

2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid (PubChem CID 130386885) has the molecular formula C21H23FO3 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid
PubChem CID130386885
Molecular FormulaC21H23FO3
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid
SMILESCC(C)Oc1ccc(F)c(-c2ccc(C[C@@H]3C[C@H]3CC(=O)O)cc2)c1
InChIInChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)/t16-,17+/m1/s1
InChIKeyCCSDQCUWNYPIFZ-SJORKVTESA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid with MolForge

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Related Compounds

trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
[2-[3-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclobutyl]-2-oxoethylidene]azanium
CID 145039193
cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
CID 130387038
1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
CID 134401525
(E)-5-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]-2-methylpent-2-enoic acid
CID 130386976
methyl 5-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]spiro[2.3]hexane-2-carboxylate
CID 118951597
2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
CID 66737668
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
CID 141200416
cis-(1R,2R)-2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386955
CID 163989736
CID 163989736
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid (CID 130386885) is 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid is CC(C)Oc1ccc(F)c(-c2ccc(C[C@@H]3C[C@H]3CC(=O)O)cc2)c1.
What is the InChIKey of 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid?
The InChIKey is CCSDQCUWNYPIFZ-SJORKVTESA-N. The full InChI is InChI=1S/C21H23FO3/c1-13(2)25-18-7-8-20(22)19(12-18)15-5-3-14(4-6-15)9-16-10-17(16)11-21(23)24/h3-8,12-13,16-17H,9-11H2,1-2H3,(H,23,24)/t16-,17+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid?
2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid has a molecular weight of 342.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 130386885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).