1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone

C14H11ClO2 — CID 53221285

IUPAC1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)c(O)c2)cc1
InChIInChI=1S/C14H11ClO2/c1-9(16)10-2-4-11(5-3-10)12-6-7-13(15)14(17)8-12/h2-8,17H,1H3
InChIKeyOMVJMXKIZDIUNJ-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.92
Rot. Bonds2

About 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone

1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone (PubChem CID 53221285) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone
PubChem CID53221285
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)c(O)c2)cc1
InChIInChI=1S/C14H11ClO2/c1-9(16)10-2-4-11(5-3-10)12-6-7-13(15)14(17)8-12/h2-8,17H,1H3
InChIKeyOMVJMXKIZDIUNJ-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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Related Compounds

1-[4-(2-chloro-4-hydroxyphenyl)phenyl]ethanone
CID 141482327
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
CID 53221795

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone (CID 53221285) is 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Cl)c(O)c2)cc1.
What is the InChIKey of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone?
The InChIKey is OMVJMXKIZDIUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-9(16)10-2-4-11(5-3-10)12-6-7-13(15)14(17)8-12/h2-8,17H,1H3.
What are the key properties of 1-[4-(4-chloro-3-hydroxyphenyl)phenyl]ethanone?
1-[4-(4-chloro-3-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-(4-chloro-3-hydroxyphenyl)phenyl]ethanone is sourced from PubChem (CID 53221285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).