trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid

C10H9ClO2 — CID 20666511

IUPACtrans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C10H9ClO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyFXRZNBPQNVOJTP-JGVFFNPUSA-N
MW196.63 g/mol
LogP2.53
Rot. Bonds2

About trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 20666511) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID20666511
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Nametrans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C10H9ClO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)/t7-,8+/m0/s1
InChIKeyFXRZNBPQNVOJTP-JGVFFNPUSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid (CID 20666511) is trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FXRZNBPQNVOJTP-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 196.63 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 20666511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).