[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate

C20H19FO5 — CID 170072293

IUPAC[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1F
InChIInChI=1S/C20H19FO5/c1-5-19(22)25-17-9-7-14(11-18(17)24-4)13-6-8-16(15(21)10-13)26-20(23)12(2)3/h6-11H,2,5H2,1,3-4H3
InChIKeyQJBDQXPIAZZBDK-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.30
Rot. Bonds6

About [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate

[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 170072293) has the molecular formula C20H19FO5 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID170072293
Molecular FormulaC20H19FO5
Molecular Weight358.37 g/mol
Exact Mass358.12
IUPAC Name[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1F
InChIInChI=1S/C20H19FO5/c1-5-19(22)25-17-9-7-14(11-18(17)24-4)13-6-8-16(15(21)10-13)26-20(23)12(2)3/h6-11H,2,5H2,1,3-4H3
InChIKeyQJBDQXPIAZZBDK-UHFFFAOYSA-N
XLogP4.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 139527455
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[4-[4-methoxy-3-(2-methylprop-2-enoyloxy)phenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 138462468
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[2-fluoro-4-[3-fluoro-4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 139334672
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 3-methylbut-3-enoate
CID 145418981
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[4-[3-fluoro-4-[4-(3-methyl-2-oxobut-3-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]phenyl]-2-methoxyphenyl] 2-methylprop-2-enoate
CID 170075434
[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-butyl-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 154596476
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate (CID 170072293) is [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)CC)c(OC)c2)cc1F.
What is the InChIKey of [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is QJBDQXPIAZZBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO5/c1-5-19(22)25-17-9-7-14(11-18(17)24-4)13-6-8-16(15(21)10-13)26-20(23)12(2)3/h6-11H,2,5H2,1,3-4H3.
What are the key properties of [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate?
[2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 358.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 170072293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).