4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one

C13H13FO2 — CID 83261329

IUPAC4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one
SMILESCOc1ccc(F)cc1C1=CCC(=O)CC1
InChIInChI=1S/C13H13FO2/c1-16-13-7-4-10(14)8-12(13)9-2-5-11(15)6-3-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyKBPDOTYIGZWRBN-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.97
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one

4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one (PubChem CID 83261329) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one
PubChem CID83261329
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one
SMILESCOc1ccc(F)cc1C1=CCC(=O)CC1
InChIInChI=1S/C13H13FO2/c1-16-13-7-4-10(14)8-12(13)9-2-5-11(15)6-3-9/h2,4,7-8H,3,5-6H2,1H3
InChIKeyKBPDOTYIGZWRBN-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-one
CID 90413654
4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
CID 83261958
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
2-(5-fluoro-2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154901265
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 145058135
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575616
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one (CID 83261329) is 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one is COc1ccc(F)cc1C1=CCC(=O)CC1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one?
The InChIKey is KBPDOTYIGZWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-16-13-7-4-10(14)8-12(13)9-2-5-11(15)6-3-9/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one?
4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one has a molecular weight of 220.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)cyclohex-3-en-1-one is sourced from PubChem (CID 83261329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).