2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid

C19H20O4 — CID 174211752

IUPAC2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid
SMILESCC1CC1(OCC(=O)O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20O4/c1-14-11-19(14,23-13-18(20)21)16-9-5-6-10-17(16)22-12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyJCWBVPKOBUPHGD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.60
Rot. Bonds7

About 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid

2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid (PubChem CID 174211752) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid
PubChem CID174211752
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid
SMILESCC1CC1(OCC(=O)O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20O4/c1-14-11-19(14,23-13-18(20)21)16-9-5-6-10-17(16)22-12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyJCWBVPKOBUPHGD-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117457732
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117497648
[2-(1-adamantyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 7718124
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
CID 101083628
CID 101083628
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
methyl 10-methoxy-8-methyl-3-phenylmethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylate
CID 135035851
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
2-phenylmethoxybenzoyl chloride
CID 10999355
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid?
The IUPAC name of 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid (CID 174211752) is 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid.
What is the SMILES notation for 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid?
The canonical SMILES for 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid is CC1CC1(OCC(=O)O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid?
The InChIKey is JCWBVPKOBUPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-14-11-19(14,23-13-18(20)21)16-9-5-6-10-17(16)22-12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid?
2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid has a molecular weight of 312.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid is sourced from PubChem (CID 174211752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).