(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid

C19H20O2 — CID 82544146

IUPAC(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
SMILESC/C(=C\C(=O)O)CCc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H20O2/c1-14-7-10-17(11-8-14)18-5-3-4-16(13-18)9-6-15(2)12-19(20)21/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,20,21)/b15-12+
InChIKeyKAWZGAPYZPXEBK-NTCAYCPXSA-N
MW280.37 g/mol
LogP4.63
Rot. Bonds5

About (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid

(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid (PubChem CID 82544146) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
PubChem CID82544146
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
SMILESC/C(=C\C(=O)O)CCc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C19H20O2/c1-14-7-10-17(11-8-14)18-5-3-4-16(13-18)9-6-15(2)12-19(20)21/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,20,21)/b15-12+
InChIKeyKAWZGAPYZPXEBK-NTCAYCPXSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(E)-4-carboxy-3-methylbut-3-enyl]phenyl]benzoic acid
CID 110447067
(E)-3-methyl-4-[4-(4-methylphenyl)phenyl]but-2-enoic acid
CID 82544151
(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid
CID 82544060
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
3-[methyl-[[3-(4-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122037165
3-[4-[[3-(4-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
CID 54583099
4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
CID 82541152
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152
4-[3-(4-butoxyphenyl)phenyl]butan-2-one
CID 167259415
methyl (E)-5-[3-(2-fluorophenyl)phenyl]-3-methylpent-2-enoate
CID 82543594
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid?
The IUPAC name of (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid (CID 82544146) is (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid.
What is the SMILES notation for (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid?
The canonical SMILES for (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid is C/C(=C\C(=O)O)CCc1cccc(-c2ccc(C)cc2)c1.
What is the InChIKey of (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid?
The InChIKey is KAWZGAPYZPXEBK-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H20O2/c1-14-7-10-17(11-8-14)18-5-3-4-16(13-18)9-6-15(2)12-19(20)21/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,20,21)/b15-12+.
What are the key properties of (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid?
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid is sourced from PubChem (CID 82544146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).