3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one

C15H18ClFO2 — CID 103457499

IUPAC3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
SMILESO=C(Cc1ccc(Cl)cc1F)C(O)C1CCCCC1
InChIInChI=1S/C15H18ClFO2/c16-12-7-6-11(13(17)9-12)8-14(18)15(19)10-4-2-1-3-5-10/h6-7,9-10,15,19H,1-5,8H2
InChIKeyDMUXNCPALLGDII-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.53
Rot. Bonds4

About 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one

3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one (PubChem CID 103457499) has the molecular formula C15H18ClFO2 and a molecular weight of 284.76 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
PubChem CID103457499
Molecular FormulaC15H18ClFO2
Molecular Weight284.76 g/mol
Exact Mass284.10
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
SMILESO=C(Cc1ccc(Cl)cc1F)C(O)C1CCCCC1
InChIInChI=1S/C15H18ClFO2/c16-12-7-6-11(13(17)9-12)8-14(18)15(19)10-4-2-1-3-5-10/h6-7,9-10,15,19H,1-5,8H2
InChIKeyDMUXNCPALLGDII-UHFFFAOYSA-N
XLogP3.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
CID 114863568
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1-hydroxypropan-2-one
CID 103457560
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one (CID 103457499) is 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one is O=C(Cc1ccc(Cl)cc1F)C(O)C1CCCCC1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
The InChIKey is DMUXNCPALLGDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFO2/c16-12-7-6-11(13(17)9-12)8-14(18)15(19)10-4-2-1-3-5-10/h6-7,9-10,15,19H,1-5,8H2.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one has a molecular weight of 284.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one is sourced from PubChem (CID 103457499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).