methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate

C19H19FO2 — CID 82543594

IUPACmethyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)CCc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C19H19FO2/c1-14(12-19(21)22-2)10-11-15-6-5-7-16(13-15)17-8-3-4-9-18(17)20/h3-9,12-13H,10-11H2,1-2H3/b14-12+
InChIKeyFNYXMAFCHPELFO-WYMLVPIESA-N
MW298.36 g/mol
LogP4.54
Rot. Bonds5

About methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate

methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate (PubChem CID 82543594) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
PubChem CID82543594
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Namemethyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)CCc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C19H19FO2/c1-14(12-19(21)22-2)10-11-15-6-5-7-16(13-15)17-8-3-4-9-18(17)20/h3-9,12-13H,10-11H2,1-2H3/b14-12+
InChIKeyFNYXMAFCHPELFO-WYMLVPIESA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-5-[4-(4-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543606
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
methyl (E)-3-[4-fluoro-3-(2-fluorophenyl)phenyl]but-2-enoate
CID 82543597
methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663
4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
CID 82541152
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
CID 82540744
methyl (E)-3-[3-(2-methoxyphenyl)phenyl]but-2-enoate
CID 82543553
3-[2-fluoro-5-[(E)-4-methoxy-4-oxobut-2-en-2-yl]phenyl]benzoic acid
CID 110447244
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate?
The IUPAC name of methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate (CID 82543594) is methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate.
What is the SMILES notation for methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate?
The canonical SMILES for methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate is COC(=O)/C=C(\C)CCc1cccc(-c2ccccc2F)c1.
What is the InChIKey of methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate?
The InChIKey is FNYXMAFCHPELFO-WYMLVPIESA-N. The full InChI is InChI=1S/C19H19FO2/c1-14(12-19(21)22-2)10-11-15-6-5-7-16(13-15)17-8-3-4-9-18(17)20/h3-9,12-13H,10-11H2,1-2H3/b14-12+.
What are the key properties of methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate?
methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate has a molecular weight of 298.36 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate is sourced from PubChem (CID 82543594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).