1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone

C14H11ClO2 — CID 141482327

IUPAC1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(O)cc2Cl)cc1
InChIInChI=1S/C14H11ClO2/c1-9(16)10-2-4-11(5-3-10)13-7-6-12(17)8-14(13)15/h2-8,17H,1H3
InChIKeyPOBJWZDNTZLAFH-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.92
Rot. Bonds2

About 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone

1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone (PubChem CID 141482327) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
PubChem CID141482327
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(O)cc2Cl)cc1
InChIInChI=1S/C14H11ClO2/c1-9(16)10-2-4-11(5-3-10)13-7-6-12(17)8-14(13)15/h2-8,17H,1H3
InChIKeyPOBJWZDNTZLAFH-UHFFFAOYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone (CID 141482327) is 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(O)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone?
The InChIKey is POBJWZDNTZLAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-9(16)10-2-4-11(5-3-10)13-7-6-12(17)8-14(13)15/h2-8,17H,1H3.
What are the key properties of 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone?
1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone has a molecular weight of 246.69 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone is sourced from PubChem (CID 141482327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).