[5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene

C15H19FO2 — CID 134996286

IUPAC[5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene
SMILESCOC(OC)C1CC(c2ccccc2)CC=C1F
InChIInChI=1S/C15H19FO2/c1-17-15(18-2)13-10-12(8-9-14(13)16)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8,10H2,1-2H3
InChIKeyOGZPUDNRZRRJMY-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.65
Rot. Bonds4

About [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene

[5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene (PubChem CID 134996286) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene.

Molecular Properties

Compound Name[5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene
PubChem CID134996286
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name[5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene
SMILESCOC(OC)C1CC(c2ccccc2)CC=C1F
InChIInChI=1S/C15H19FO2/c1-17-15(18-2)13-10-12(8-9-14(13)16)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8,10H2,1-2H3
InChIKeyOGZPUDNRZRRJMY-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Phenyl acetaldehyde dimethyl acetal
CID 60995
2-Phenylpropionaldehyde dimethyl acetal
CID 62336
Acetaldehyde phenethyl propyl acetal
CID 61403
Phenyl acetaldehyde diisobutyl acetal
CID 71544
Phenylacetaldehyde diethyl acetal
CID 80584
Acetaldehyde butyl phenethyl acetal
CID 62876
1,1-Bis(phenethyloxy)ethane
CID 101592
Benzene, (2-(1-ethoxyethoxy)ethyl)-
CID 102849
2-Phenylpropanal propylene glycol acetal
CID 236687
1,3-Dioxolane, 2-(1-phenylethyl)-
CID 97785
Benzene, 1-(2,2-dimethoxyethyl)-4-methyl-
CID 162533
1,1-Dimethoxy-3-phenylpropane
CID 95979

Frequently Asked Questions

What is the IUPAC name of [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene?
The IUPAC name of [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene (CID 134996286) is [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene.
What is the SMILES notation for [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene?
The canonical SMILES for [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene is COC(OC)C1CC(c2ccccc2)CC=C1F.
What is the InChIKey of [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene?
The InChIKey is OGZPUDNRZRRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-17-15(18-2)13-10-12(8-9-14(13)16)11-6-4-3-5-7-11/h3-7,9,12-13,15H,8,10H2,1-2H3.
What are the key properties of [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene?
[5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene has a molecular weight of 250.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethoxymethyl)-4-fluorocyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 134996286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).