(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate

C15H10Cl2O2 — CID 88746551

IUPAC(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)Oc1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C15H10Cl2O2/c1-10(16)15(18)19-13-9-5-8-12(14(13)17)11-6-3-2-4-7-11/h2-9H,1H2
InChIKeyCDUCBBYGZOVLGN-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.66
Rot. Bonds3

About (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate

(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate (PubChem CID 88746551) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate.

Molecular Properties

Compound Name(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate
PubChem CID88746551
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)Oc1cccc(-c2ccccc2)c1Cl
InChIInChI=1S/C15H10Cl2O2/c1-10(16)15(18)19-13-9-5-8-12(14(13)17)11-6-3-2-4-7-11/h2-9H,1H2
InChIKeyCDUCBBYGZOVLGN-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate?
The IUPAC name of (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate (CID 88746551) is (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate.
What is the SMILES notation for (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate?
The canonical SMILES for (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate is C=C(Cl)C(=O)Oc1cccc(-c2ccccc2)c1Cl.
What is the InChIKey of (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate?
The InChIKey is CDUCBBYGZOVLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c1-10(16)15(18)19-13-9-5-8-12(14(13)17)11-6-3-2-4-7-11/h2-9H,1H2.
What are the key properties of (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate?
(2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate has a molecular weight of 293.15 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-phenylphenyl) 2-chloroprop-2-enoate is sourced from PubChem (CID 88746551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).