3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one

C10H6Cl2O2 — CID 10751858

IUPAC3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one
SMILESO=C1C(O)=C(Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C10H6Cl2O2/c11-6-3-1-5(2-4-6)7-8(12)10(14)9(7)13/h1-4,7,14H
InChIKeyUXYSIGHEJOXMEF-UHFFFAOYSA-N
MW229.06 g/mol
LogP3.01
Rot. Bonds1

About 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one

3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one (PubChem CID 10751858) has the molecular formula C10H6Cl2O2 and a molecular weight of 229.06 g/mol. Its IUPAC name is 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one
PubChem CID10751858
Molecular FormulaC10H6Cl2O2
Molecular Weight229.06 g/mol
Exact Mass227.97
IUPAC Name3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one
SMILESO=C1C(O)=C(Cl)C1c1ccc(Cl)cc1
InChIInChI=1S/C10H6Cl2O2/c11-6-3-1-5(2-4-6)7-8(12)10(14)9(7)13/h1-4,7,14H
InChIKeyUXYSIGHEJOXMEF-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one?
The IUPAC name of 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one (CID 10751858) is 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one?
The canonical SMILES for 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one is O=C1C(O)=C(Cl)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one?
The InChIKey is UXYSIGHEJOXMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2/c11-6-3-1-5(2-4-6)7-8(12)10(14)9(7)13/h1-4,7,14H.
What are the key properties of 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one?
3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one has a molecular weight of 229.06 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chlorophenyl)-2-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 10751858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).