methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate

C24H23FO5 — CID 58359371

IUPACmethyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2F)co1
InChIInChI=1S/C24H23FO5/c1-24(2,3)30-22(26)19-8-6-5-7-18(19)16-9-10-17(20(25)13-16)11-15-12-21(29-14-15)23(27)28-4/h5-10,12-14H,11H2,1-4H3
InChIKeyRZVXSJIKFTXRBA-UHFFFAOYSA-N
MW410.44 g/mol
LogP5.42
Rot. Bonds5

About methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate

methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate (PubChem CID 58359371) has the molecular formula C24H23FO5 and a molecular weight of 410.44 g/mol. Its IUPAC name is methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate
PubChem CID58359371
Molecular FormulaC24H23FO5
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Namemethyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2F)co1
InChIInChI=1S/C24H23FO5/c1-24(2,3)30-22(26)19-8-6-5-7-18(19)16-9-10-17(20(25)13-16)11-15-12-21(29-14-15)23(27)28-4/h5-10,12-14H,11H2,1-4H3
InChIKeyRZVXSJIKFTXRBA-UHFFFAOYSA-N
XLogP5.42
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate (CID 58359371) is methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate is COC(=O)c1cc(Cc2ccc(-c3ccccc3C(=O)OC(C)(C)C)cc2F)co1.
What is the InChIKey of methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate?
The InChIKey is RZVXSJIKFTXRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO5/c1-24(2,3)30-22(26)19-8-6-5-7-18(19)16-9-10-17(20(25)13-16)11-15-12-21(29-14-15)23(27)28-4/h5-10,12-14H,11H2,1-4H3.
What are the key properties of methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate?
methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate has a molecular weight of 410.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 58359371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).