(E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid

C19H20O2 — CID 122698640

IUPAC(E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid
SMILESC/C(=C\C(c1ccc(C)cc1)c1cccc(C)c1)C(=O)O
InChIInChI=1S/C19H20O2/c1-13-7-9-16(10-8-13)18(12-15(3)19(20)21)17-6-4-5-14(2)11-17/h4-12,18H,1-3H3,(H,20,21)/b15-12+
InChIKeyOATDWKZLMJPKHC-NTCAYCPXSA-N
MW280.37 g/mol
LogP4.47
Rot. Bonds4

About (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid

(E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid (PubChem CID 122698640) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid
PubChem CID122698640
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid
SMILESC/C(=C\C(c1ccc(C)cc1)c1cccc(C)c1)C(=O)O
InChIInChI=1S/C19H20O2/c1-13-7-9-16(10-8-13)18(12-15(3)19(20)21)17-6-4-5-14(2)11-17/h4-12,18H,1-3H3,(H,20,21)/b15-12+
InChIKeyOATDWKZLMJPKHC-NTCAYCPXSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.47
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

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CID 15158864
1,1-bis(3-methylphenyl)propan-2-one;ethane
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CID 82161739
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
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CID 158672688
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CID 21426934
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
3-methyl-2-(3-methylphenyl)butanoyl chloride
CID 23465341
2-methyl-3-(methylamino)-3-(3-methylphenyl)propanoic acid
CID 116953387
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
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1,2-bis(3-methylphenyl)propan-1-one
CID 145487890

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid?
The IUPAC name of (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid (CID 122698640) is (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid?
The canonical SMILES for (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid is C/C(=C\C(c1ccc(C)cc1)c1cccc(C)c1)C(=O)O.
What is the InChIKey of (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid?
The InChIKey is OATDWKZLMJPKHC-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-7-9-16(10-8-13)18(12-15(3)19(20)21)17-6-4-5-14(2)11-17/h4-12,18H,1-3H3,(H,20,21)/b15-12+.
What are the key properties of (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid?
(E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(3-methylphenyl)-4-(4-methylphenyl)but-2-enoic acid is sourced from PubChem (CID 122698640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).