1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one

C15H12ClFO2 — CID 161028075

IUPAC1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClFO2/c16-12-3-6-15(17)11(8-12)9-14(19)7-10-1-4-13(18)5-2-10/h1-6,8,18H,7,9H2
InChIKeyTZGFCVIINGGUDF-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one

1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one (PubChem CID 161028075) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
PubChem CID161028075
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClFO2/c16-12-3-6-15(17)11(8-12)9-14(19)7-10-1-4-13(18)5-2-10/h1-6,8,18H,7,9H2
InChIKeyTZGFCVIINGGUDF-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-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
CID 103052423
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
1-(5-chloro-2-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 103052515
2-(4-hydroxyphenyl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 78838857
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one (CID 161028075) is 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one is O=C(Cc1ccc(O)cc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one?
The InChIKey is TZGFCVIINGGUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-12-3-6-15(17)11(8-12)9-14(19)7-10-1-4-13(18)5-2-10/h1-6,8,18H,7,9H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one?
1-(5-chloro-2-fluorophenyl)-3-(4-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-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 161028075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).