(6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone

C15H15FO3 — CID 67841823

IUPAC(6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCOC1=CC(F)(OC)C(C(=O)c2ccccc2)C=C1
InChIInChI=1S/C15H15FO3/c1-18-12-8-9-13(15(16,10-12)19-2)14(17)11-6-4-3-5-7-11/h3-10,13H,1-2H3
InChIKeyXERPADGUZLPQEV-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.90
Rot. Bonds4

About (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone

(6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 67841823) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID67841823
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name(6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCOC1=CC(F)(OC)C(C(=O)c2ccccc2)C=C1
InChIInChI=1S/C15H15FO3/c1-18-12-8-9-13(15(16,10-12)19-2)14(17)11-6-4-3-5-7-11/h3-10,13H,1-2H3
InChIKeyXERPADGUZLPQEV-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-phenylmethanone;2-[hydroxy(phenyl)methylidene]-5-methoxy-5-methylcyclohex-3-en-1-one
CID 66608147
(4-ethoxy-6,6-dihydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 67766538
(6-amino-4-chloro-6-fluorocyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 175294174
6-benzoyl-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 159234773
(2,4-dihydroxy-4-methoxycyclohexa-2,5-dien-1-yl)-phenylmethanone
CID 19350036
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
[6-hydroxy-4-[2-(2-hydroxyethoxy)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 175549786
(4S,5R)-4-benzoyl-5-ethylcyclopent-2-en-1-one
CID 11053016
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
CID 7019393
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 67841823) is (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone is COC1=CC(F)(OC)C(C(=O)c2ccccc2)C=C1.
What is the InChIKey of (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is XERPADGUZLPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-18-12-8-9-13(15(16,10-12)19-2)14(17)11-6-4-3-5-7-11/h3-10,13H,1-2H3.
What are the key properties of (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
(6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 262.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4,6-dimethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 67841823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).