2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate

C23H23FO6 — CID 147073811

IUPAC2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OCCOC(=O)C(=C)COC)c(F)c2)cc1
InChIInChI=1S/C23H23FO6/c1-15(2)22(25)30-19-8-5-17(6-9-19)18-7-10-21(20(24)13-18)28-11-12-29-23(26)16(3)14-27-4/h5-10,13H,1,3,11-12,14H2,2,4H3
InChIKeyBFOISTIBRIHHSY-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.10
Rot. Bonds10

About 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate

2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate (PubChem CID 147073811) has the molecular formula C23H23FO6 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
PubChem CID147073811
Molecular FormulaC23H23FO6
Molecular Weight414.43 g/mol
Exact Mass414.15
IUPAC Name2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OCCOC(=O)C(=C)COC)c(F)c2)cc1
InChIInChI=1S/C23H23FO6/c1-15(2)22(25)30-19-8-5-17(6-9-19)18-7-10-21(20(24)13-18)28-11-12-29-23(26)16(3)14-27-4/h5-10,13H,1,3,11-12,14H2,2,4H3
InChIKeyBFOISTIBRIHHSY-UHFFFAOYSA-N
XLogP4.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[3-fluoro-2-(2-methoxyethoxy)-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 123530280
2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 149008109
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
2-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 155139350
2-[4-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027213
[4-[2-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenoxy]ethoxy]phenyl] 2-methylprop-2-enoate
CID 134370010
2-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 146668879
[4-[2-[2,6-difluoro-4-[3-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethoxy]-3-fluorophenyl] 2-methylprop-2-enoate
CID 138636445
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 3-methylbut-3-enoate
CID 145418981
[4-[3-fluoro-4-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 148814539
[2-fluoro-4-[4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 145261223

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate?
The IUPAC name of 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate (CID 147073811) is 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OCCOC(=O)C(=C)COC)c(F)c2)cc1.
What is the InChIKey of 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate?
The InChIKey is BFOISTIBRIHHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FO6/c1-15(2)22(25)30-19-8-5-17(6-9-19)18-7-10-21(20(24)13-18)28-11-12-29-23(26)16(3)14-27-4/h5-10,13H,1,3,11-12,14H2,2,4H3.
What are the key properties of 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate?
2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate has a molecular weight of 414.43 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 147073811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).