3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one

C14H15FO2 — CID 107383000

IUPAC3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one
SMILESCOc1cccc(C2=CC(=O)CCCC2)c1F
InChIInChI=1S/C14H15FO2/c1-17-13-8-4-7-12(14(13)15)10-5-2-3-6-11(16)9-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyMUFBNSHUKNFHHP-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.36
Rot. Bonds2

About 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one

3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one (PubChem CID 107383000) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one
PubChem CID107383000
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one
SMILESCOc1cccc(C2=CC(=O)CCCC2)c1F
InChIInChI=1S/C14H15FO2/c1-17-13-8-4-7-12(14(13)15)10-5-2-3-6-11(16)9-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyMUFBNSHUKNFHHP-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
CID 82811166
3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
CID 116811052
4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
CID 83262312
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
3-(4-chloro-3-methoxyphenyl)cyclohept-2-en-1-one
CID 107382719
1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 165495433
6-(2-methoxyphenyl)cyclohepta-1,6-diene-1-sulfinate
CID 167206496
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one
CID 65174629
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
2-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 104792917
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one (CID 107383000) is 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one is COc1cccc(C2=CC(=O)CCCC2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one?
The InChIKey is MUFBNSHUKNFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-17-13-8-4-7-12(14(13)15)10-5-2-3-6-11(16)9-10/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one?
3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one has a molecular weight of 234.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)cyclohept-2-en-1-one is sourced from PubChem (CID 107383000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).