cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid

C22H23FO4 — CID 135359405

IUPACcis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1COc1ccc(-c2cc(OC3CCCC3)ccc2F)cc1
InChIInChI=1S/C22H23FO4/c23-21-10-9-18(27-17-3-1-2-4-17)12-19(21)14-5-7-16(8-6-14)26-13-15-11-20(15)22(24)25/h5-10,12,15,17,20H,1-4,11,13H2,(H,24,25)/t15-,20+/m0/s1
InChIKeyBIWGJLYHKTUMCG-MGPUTAFESA-N
MW370.42 g/mol
LogP4.91
Rot. Bonds7

About cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid (PubChem CID 135359405) has the molecular formula C22H23FO4 and a molecular weight of 370.42 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
PubChem CID135359405
Molecular FormulaC22H23FO4
Molecular Weight370.42 g/mol
Exact Mass370.16
IUPAC Namecis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1COc1ccc(-c2cc(OC3CCCC3)ccc2F)cc1
InChIInChI=1S/C22H23FO4/c23-21-10-9-18(27-17-3-1-2-4-17)12-19(21)14-5-7-16(8-6-14)26-13-15-11-20(15)22(24)25/h5-10,12,15,17,20H,1-4,11,13H2,(H,24,25)/t15-,20+/m0/s1
InChIKeyBIWGJLYHKTUMCG-MGPUTAFESA-N
XLogP4.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386999
2-[[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386989
cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
CID 130387038
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone
CID 134401518
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
CID 134401525
cis-(1R,2R)-2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386955
cis-(1R,2R)-2-[[4-(3-methoxy-5-propan-2-yloxyphenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386864
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid (CID 135359405) is cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1COc1ccc(-c2cc(OC3CCCC3)ccc2F)cc1.
What is the InChIKey of cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BIWGJLYHKTUMCG-MGPUTAFESA-N. The full InChI is InChI=1S/C22H23FO4/c23-21-10-9-18(27-17-3-1-2-4-17)12-19(21)14-5-7-16(8-6-14)26-13-15-11-20(15)22(24)25/h5-10,12,15,17,20H,1-4,11,13H2,(H,24,25)/t15-,20+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 370.42 g/mol, XLogP of 4.91, 7 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-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135359405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).