2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid

C11H10Cl2O2 — CID 137346640

IUPAC2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid
SMILESO=C(O)CC1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C11H10Cl2O2/c12-11(13)8(6-9(14)15)10(11)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,14,15)
InChIKeyMQAIIDSZOUJRPW-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.05
Rot. Bonds3

About 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid

2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid (PubChem CID 137346640) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid
PubChem CID137346640
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid
SMILESO=C(O)CC1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C11H10Cl2O2/c12-11(13)8(6-9(14)15)10(11)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,14,15)
InChIKeyMQAIIDSZOUJRPW-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid?
The IUPAC name of 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid (CID 137346640) is 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid?
The canonical SMILES for 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid is O=C(O)CC1C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid?
The InChIKey is MQAIIDSZOUJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c12-11(13)8(6-9(14)15)10(11)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,14,15).
What are the key properties of 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid?
2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid has a molecular weight of 245.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid is sourced from PubChem (CID 137346640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).