[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate

C16H13FO3 — CID 91418550

IUPAC[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccccc1C=Cc1cccc(F)c1
InChIInChI=1S/C16H13FO3/c1-19-16(18)20-15-8-3-2-6-13(15)10-9-12-5-4-7-14(17)11-12/h2-11H,1H3
InChIKeyGRPGVXVRGYIPGN-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.14
Rot. Bonds3

About [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate

[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate (PubChem CID 91418550) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate
PubChem CID91418550
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1ccccc1C=Cc1cccc(F)c1
InChIInChI=1S/C16H13FO3/c1-19-16(18)20-15-8-3-2-6-13(15)10-9-12-5-4-7-14(17)11-12/h2-11H,1H3
InChIKeyGRPGVXVRGYIPGN-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243
[3-[2-[2-fluoro-4-[2-[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123770699
2-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-4-methoxybenzoic acid
CID 122183158
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7786039
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
N-[(2R)-5-[4-[2-(3-fluorophenyl)ethenyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 123667708
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] acetate
CID 3518506
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
[2-[2-(3-fluorophenyl)ethenyl]quinolin-8-yl] propanoate
CID 2935917

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate?
The IUPAC name of [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate (CID 91418550) is [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate.
What is the SMILES notation for [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate?
The canonical SMILES for [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate is COC(=O)Oc1ccccc1C=Cc1cccc(F)c1.
What is the InChIKey of [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate?
The InChIKey is GRPGVXVRGYIPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-16(18)20-15-8-3-2-6-13(15)10-9-12-5-4-7-14(17)11-12/h2-11H,1H3.
What are the key properties of [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate?
[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate has a molecular weight of 272.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate is sourced from PubChem (CID 91418550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).