cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid

C21H23FO4 — CID 130387038

IUPACcis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Oc1ccc(F)c(-c2ccc(COC[C@@H]3C[C@H]3C(=O)O)cc2)c1
InChIInChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)18(10-17)15-5-3-14(4-6-15)11-25-12-16-9-19(16)21(23)24/h3-8,10,13,16,19H,9,11-12H2,1-2H3,(H,23,24)/t16-,19+/m0/s1
InChIKeyQLNZYKTWSYDMDR-QFBILLFUSA-N
MW358.41 g/mol
LogP4.52
Rot. Bonds8

About cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 130387038) has the molecular formula C21H23FO4 and a molecular weight of 358.41 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
PubChem CID130387038
Molecular FormulaC21H23FO4
Molecular Weight358.41 g/mol
Exact Mass358.16
IUPAC Namecis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)Oc1ccc(F)c(-c2ccc(COC[C@@H]3C[C@H]3C(=O)O)cc2)c1
InChIInChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)18(10-17)15-5-3-14(4-6-15)11-25-12-16-9-19(16)21(23)24/h3-8,10,13,16,19H,9,11-12H2,1-2H3,(H,23,24)/t16-,19+/m0/s1
InChIKeyQLNZYKTWSYDMDR-QFBILLFUSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
CID 134401525
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid
CID 130386885
cis-(1R,2R)-2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386955
2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386999
[2-[3-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclobutyl]-2-oxoethylidene]azanium
CID 145039193
cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 135359405
(E)-5-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]-2-methylpent-2-enoic acid
CID 130386976
2-[[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386989
cis-(1R,2R)-2-[[4-(3-methoxy-5-propan-2-yloxyphenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386864
6-[[4-(5-ethoxy-2-fluorophenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58990655
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid (CID 130387038) is cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid is CC(C)Oc1ccc(F)c(-c2ccc(COC[C@@H]3C[C@H]3C(=O)O)cc2)c1.
What is the InChIKey of cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is QLNZYKTWSYDMDR-QFBILLFUSA-N. The full InChI is InChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)18(10-17)15-5-3-14(4-6-15)11-25-12-16-9-19(16)21(23)24/h3-8,10,13,16,19H,9,11-12H2,1-2H3,(H,23,24)/t16-,19+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 358.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130387038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).