[4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate

C15H19FO3 — CID 59395061

IUPAC[4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(F)cc1C1(C)CCCCC1
InChIInChI=1S/C15H19FO3/c1-15(8-4-3-5-9-15)12-10-11(16)6-7-13(12)19-14(17)18-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUYTBMEWBLMGCQY-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.19
Rot. Bonds2

About [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate

[4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate (PubChem CID 59395061) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate.

Molecular Properties

Compound Name[4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate
PubChem CID59395061
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name[4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(F)cc1C1(C)CCCCC1
InChIInChI=1S/C15H19FO3/c1-15(8-4-3-5-9-15)12-10-11(16)6-7-13(12)19-14(17)18-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUYTBMEWBLMGCQY-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate?
The IUPAC name of [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate (CID 59395061) is [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate.
What is the SMILES notation for [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate?
The canonical SMILES for [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate is COC(=O)Oc1ccc(F)cc1C1(C)CCCCC1.
What is the InChIKey of [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate?
The InChIKey is UYTBMEWBLMGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-15(8-4-3-5-9-15)12-10-11(16)6-7-13(12)19-14(17)18-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate?
[4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate has a molecular weight of 266.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(1-methylcyclohexyl)phenyl] methyl carbonate is sourced from PubChem (CID 59395061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).