trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

C18H18O4 — CID 166242383

IUPACtrans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(-c2ccccc2[C@@H]2C[C@H]2C(=O)O)c1OC
InChIInChI=1S/C18H18O4/c1-21-16-9-5-8-13(17(16)22-2)11-6-3-4-7-12(11)14-10-15(14)18(19)20/h3-9,14-15H,10H2,1-2H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyUGASFEJKYRDNCB-LSDHHAIUSA-N
MW298.34 g/mol
LogP3.56
Rot. Bonds5

About trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 166242383) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID166242383
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Nametrans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(-c2ccccc2[C@@H]2C[C@H]2C(=O)O)c1OC
InChIInChI=1S/C18H18O4/c1-21-16-9-5-8-13(17(16)22-2)11-6-3-4-7-12(11)14-10-15(14)18(19)20/h3-9,14-15H,10H2,1-2H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyUGASFEJKYRDNCB-LSDHHAIUSA-N
XLogP3.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid (CID 166242383) is trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is COc1cccc(-c2ccccc2[C@@H]2C[C@H]2C(=O)O)c1OC.
What is the InChIKey of trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is UGASFEJKYRDNCB-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-16-9-5-8-13(17(16)22-2)11-6-3-4-7-12(11)14-10-15(14)18(19)20/h3-9,14-15H,10H2,1-2H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2,3-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166242383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).