cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone

C12H10Cl2O2 — CID 162644241

IUPACcyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(C1=CCCC1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H10Cl2O2/c13-9-5-8(6-10(14)12(9)16)11(15)7-3-1-2-4-7/h3,5-6,16H,1-2,4H2
InChIKeyYKBXGXJAWKFTON-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.99
Rot. Bonds2

About cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone

cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone (PubChem CID 162644241) has the molecular formula C12H10Cl2O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone
PubChem CID162644241
Molecular FormulaC12H10Cl2O2
Molecular Weight257.12 g/mol
Exact Mass256.01
IUPAC Namecyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(C1=CCCC1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H10Cl2O2/c13-9-5-8(6-10(14)12(9)16)11(15)7-3-1-2-4-7/h3,5-6,16H,1-2,4H2
InChIKeyYKBXGXJAWKFTON-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone?
The IUPAC name of cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone (CID 162644241) is cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone?
The canonical SMILES for cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone is O=C(C1=CCCC1)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone?
The InChIKey is YKBXGXJAWKFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2/c13-9-5-8(6-10(14)12(9)16)11(15)7-3-1-2-4-7/h3,5-6,16H,1-2,4H2.
What are the key properties of cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone?
cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone has a molecular weight of 257.12 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3,5-dichloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 162644241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).