1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid

C17H14Cl2O2 — CID 65017318

IUPAC1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)C1
InChIInChI=1S/C17H14Cl2O2/c18-14-7-6-13(8-15(14)19)17(16(20)21)9-12(10-17)11-4-2-1-3-5-11/h1-8,12H,9-10H2,(H,20,21)
InChIKeyZSKLFWGZPQFTRP-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.89
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid

1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid (PubChem CID 65017318) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
PubChem CID65017318
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)C1
InChIInChI=1S/C17H14Cl2O2/c18-14-7-6-13(8-15(14)19)17(16(20)21)9-12(10-17)11-4-2-1-3-5-11/h1-8,12H,9-10H2,(H,20,21)
InChIKeyZSKLFWGZPQFTRP-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid (CID 65017318) is 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
The InChIKey is ZSKLFWGZPQFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c18-14-7-6-13(8-15(14)19)17(16(20)21)9-12(10-17)11-4-2-1-3-5-11/h1-8,12H,9-10H2,(H,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid?
1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid has a molecular weight of 321.20 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65017318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).