[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate

C18H17FO3 — CID 89393354

IUPAC[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H17FO3/c1-12(2)18(20)22-17(13-4-8-15(19)9-5-13)14-6-10-16(21-3)11-7-14/h4-11,17H,1H2,2-3H3
InChIKeyXKYKUBBGNCFRAA-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.04
Rot. Bonds5

About [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate

[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate (PubChem CID 89393354) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate
PubChem CID89393354
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H17FO3/c1-12(2)18(20)22-17(13-4-8-15(19)9-5-13)14-6-10-16(21-3)11-7-14/h4-11,17H,1H2,2-3H3
InChIKeyXKYKUBBGNCFRAA-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-fluorophenyl)-3-methylbut-2-enyl] 2-methylprop-2-enoate
CID 167189018
[(4-chlorophenyl)-(3-methoxyphenyl)methyl] 2-methylprop-2-enoate
CID 89393349
CID 168763649
CID 168763649
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667
O-[bis(4-fluorophenyl)methyl] ethanethioate
CID 175992582
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
bis(4-hydroxyphenyl)methyl 2-methoxyprop-2-enoate
CID 57302242
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate?
The IUPAC name of [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate (CID 89393354) is [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate?
The InChIKey is XKYKUBBGNCFRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c1-12(2)18(20)22-17(13-4-8-15(19)9-5-13)14-6-10-16(21-3)11-7-14/h4-11,17H,1H2,2-3H3.
What are the key properties of [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate?
[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate has a molecular weight of 300.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89393354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).