(4-fluorophenyl) (4-hexylphenyl) carbonate

C19H21FO3 — CID 70425086

IUPAC(4-fluorophenyl) (4-hexylphenyl) carbonate
SMILESCCCCCCc1ccc(OC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FO3/c1-2-3-4-5-6-15-7-11-17(12-8-15)22-19(21)23-18-13-9-16(20)10-14-18/h7-14H,2-6H2,1H3
InChIKeyKGWFSGNFVNAOFW-UHFFFAOYSA-N
MW316.37 g/mol
LogP5.53
Rot. Bonds7

About (4-fluorophenyl) (4-hexylphenyl) carbonate

(4-fluorophenyl) (4-hexylphenyl) carbonate (PubChem CID 70425086) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is (4-fluorophenyl) (4-hexylphenyl) carbonate.

Molecular Properties

Compound Name(4-fluorophenyl) (4-hexylphenyl) carbonate
PubChem CID70425086
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name(4-fluorophenyl) (4-hexylphenyl) carbonate
SMILESCCCCCCc1ccc(OC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FO3/c1-2-3-4-5-6-15-7-11-17(12-8-15)22-19(21)23-18-13-9-16(20)10-14-18/h7-14H,2-6H2,1H3
InChIKeyKGWFSGNFVNAOFW-UHFFFAOYSA-N
XLogP5.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
[4-(4-fluorobenzoyl)oxyphenyl] 4-pentylbenzoate
CID 71322059
(4-decylphenyl) methyl carbonate
CID 118690238
methyl (4-octylphenyl) carbonate
CID 118690298
butyl (4-decylphenyl) carbonate
CID 118690266
(4-decylphenyl) heptyl carbonate
CID 118690290
ethyl (4-pentylphenyl) carbonate
CID 118690159
(2-chlorophenyl) (4-nonylphenyl) carbonate
CID 22994736
(4-decylphenyl) acetate
CID 57064765
(4-hexadecylphenyl) dodecanoate
CID 70230954
[4-(2-fluoro-4-propylphenyl)phenyl] (4-pentylphenyl) carbonate
CID 70483025
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) (4-hexylphenyl) carbonate?
The IUPAC name of (4-fluorophenyl) (4-hexylphenyl) carbonate (CID 70425086) is (4-fluorophenyl) (4-hexylphenyl) carbonate.
What is the SMILES notation for (4-fluorophenyl) (4-hexylphenyl) carbonate?
The canonical SMILES for (4-fluorophenyl) (4-hexylphenyl) carbonate is CCCCCCc1ccc(OC(=O)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl) (4-hexylphenyl) carbonate?
The InChIKey is KGWFSGNFVNAOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO3/c1-2-3-4-5-6-15-7-11-17(12-8-15)22-19(21)23-18-13-9-16(20)10-14-18/h7-14H,2-6H2,1H3.
What are the key properties of (4-fluorophenyl) (4-hexylphenyl) carbonate?
(4-fluorophenyl) (4-hexylphenyl) carbonate has a molecular weight of 316.37 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) (4-hexylphenyl) carbonate is sourced from PubChem (CID 70425086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).