1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one

C15H12ClFO2 — CID 82803396

IUPAC1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1cccc(O)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClFO2/c16-14-6-2-4-11(15(14)17)9-13(19)8-10-3-1-5-12(18)7-10/h1-7,18H,8-9H2
InChIKeyJGFZXDDRKJDKOJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.54
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one

1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one (PubChem CID 82803396) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
PubChem CID82803396
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1cccc(O)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H12ClFO2/c16-14-6-2-4-11(15(14)17)9-13(19)8-10-3-1-5-12(18)7-10/h1-7,18H,8-9H2
InChIKeyJGFZXDDRKJDKOJ-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
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CID 82803152
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
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1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
N-(3,5-dichloro-4-fluorophenyl)-2-(3-hydroxyphenyl)acetamide
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5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
CID 102857222
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
1-(3-chloro-2-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473716
3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenol
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1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-one
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1-(3-chloro-2-fluorophenyl)-3-ethylpentan-2-one
CID 82801918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one (CID 82803396) is 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one is O=C(Cc1cccc(O)c1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one?
The InChIKey is JGFZXDDRKJDKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-14-6-2-4-11(15(14)17)9-13(19)8-10-3-1-5-12(18)7-10/h1-7,18H,8-9H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one?
1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one has a molecular weight of 278.71 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 82803396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).