[4-(1-fluorocyclohexyl)phenyl] benzoate

C19H19FO2 — CID 134845020

IUPAC[4-(1-fluorocyclohexyl)phenyl] benzoate
SMILESO=C(Oc1ccc(C2(F)CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H19FO2/c20-19(13-5-2-6-14-19)16-9-11-17(12-10-16)22-18(21)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyOPOLULDYFUZVCR-UHFFFAOYSA-N
MW298.36 g/mol
LogP5.03
Rot. Bonds3

About [4-(1-fluorocyclohexyl)phenyl] benzoate

[4-(1-fluorocyclohexyl)phenyl] benzoate (PubChem CID 134845020) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-(1-fluorocyclohexyl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(1-fluorocyclohexyl)phenyl] benzoate
PubChem CID134845020
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name[4-(1-fluorocyclohexyl)phenyl] benzoate
SMILESO=C(Oc1ccc(C2(F)CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H19FO2/c20-19(13-5-2-6-14-19)16-9-11-17(12-10-16)22-18(21)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyOPOLULDYFUZVCR-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(1-fluorocyclopentyl)benzene
CID 67593041
[4-[1-[4-(2-methylpentan-2-yloxy)phenyl]cyclohexyl]phenyl] benzoate
CID 89026714
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
[4-[1-[4-(4-acetyloxybenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-acetyloxybenzoate
CID 142729677
(6-benzoyloxyspiro[2,3-dihydro-1H-naphthalene-4,8'-6,7-dihydro-5H-naphthalene]-2'-yl) benzoate
CID 143295308
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
[4-[1-[4-(4-ethylbenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-ethylbenzoate
CID 58453565
[4-(2,2,2-trifluoroethoxy)phenyl] benzoate
CID 67206614
phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate
CID 169322843
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107

Frequently Asked Questions

What is the IUPAC name of [4-(1-fluorocyclohexyl)phenyl] benzoate?
The IUPAC name of [4-(1-fluorocyclohexyl)phenyl] benzoate (CID 134845020) is [4-(1-fluorocyclohexyl)phenyl] benzoate.
What is the SMILES notation for [4-(1-fluorocyclohexyl)phenyl] benzoate?
The canonical SMILES for [4-(1-fluorocyclohexyl)phenyl] benzoate is O=C(Oc1ccc(C2(F)CCCCC2)cc1)c1ccccc1.
What is the InChIKey of [4-(1-fluorocyclohexyl)phenyl] benzoate?
The InChIKey is OPOLULDYFUZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c20-19(13-5-2-6-14-19)16-9-11-17(12-10-16)22-18(21)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of [4-(1-fluorocyclohexyl)phenyl] benzoate?
[4-(1-fluorocyclohexyl)phenyl] benzoate has a molecular weight of 298.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluorocyclohexyl)phenyl] benzoate is sourced from PubChem (CID 134845020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).