1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene

C16H21FO — CID 91340381

IUPAC1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene
SMILESC=C1CCC(Oc2ccc(F)cc2)CC1CCC
InChIInChI=1S/C16H21FO/c1-3-4-13-11-16(8-5-12(13)2)18-15-9-6-14(17)7-10-15/h6-7,9-10,13,16H,2-5,8,11H2,1H3
InChIKeyXXPHLDSDIOZFCS-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.73
Rot. Bonds4

About 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene

1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene (PubChem CID 91340381) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene
PubChem CID91340381
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene
SMILESC=C1CCC(Oc2ccc(F)cc2)CC1CCC
InChIInChI=1S/C16H21FO/c1-3-4-13-11-16(8-5-12(13)2)18-15-9-6-14(17)7-10-15/h6-7,9-10,13,16H,2-5,8,11H2,1H3
InChIKeyXXPHLDSDIOZFCS-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene?
The IUPAC name of 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene (CID 91340381) is 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene?
The canonical SMILES for 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene is C=C1CCC(Oc2ccc(F)cc2)CC1CCC.
What is the InChIKey of 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene?
The InChIKey is XXPHLDSDIOZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-3-4-13-11-16(8-5-12(13)2)18-15-9-6-14(17)7-10-15/h6-7,9-10,13,16H,2-5,8,11H2,1H3.
What are the key properties of 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene?
1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene has a molecular weight of 248.34 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-methylidene-3-propylcyclohexyl)oxybenzene is sourced from PubChem (CID 91340381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).