4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid

C23H24O4 — CID 139984782

IUPAC4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
SMILESC=CCc1cc(C(=O)O)ccc1C(C)(C)c1ccc(C(=O)O)cc1CC=C
InChIInChI=1S/C23H24O4/c1-5-7-15-13-17(21(24)25)9-11-19(15)23(3,4)20-12-10-18(22(26)27)14-16(20)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3,(H,24,25)(H,26,27)
InChIKeyCGBHWUOFFOKIKO-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.87
Rot. Bonds8

About 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid

4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid (PubChem CID 139984782) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid.

Molecular Properties

Compound Name4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
PubChem CID139984782
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
SMILESC=CCc1cc(C(=O)O)ccc1C(C)(C)c1ccc(C(=O)O)cc1CC=C
InChIInChI=1S/C23H24O4/c1-5-7-15-13-17(21(24)25)9-11-19(15)23(3,4)20-12-10-18(22(26)27)14-16(20)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3,(H,24,25)(H,26,27)
InChIKeyCGBHWUOFFOKIKO-UHFFFAOYSA-N
XLogP4.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277
3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
4-[2-(4-carboxy-2-hex-3-ynylphenyl)propan-2-yl]-3-hex-3-ynylbenzoic acid
CID 22140263
4-(2-aminopropan-2-yl)-3-ethylbenzoic acid
CID 130408549
4-[2-[4-carboxy-2-(trifluoromethyl)phenyl]propan-2-yl]-3-(trifluoromethyl)benzoic acid
CID 139971015
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
3-nitro-4-prop-2-enylbenzoic acid
CID 118878034
4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984859
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
8-prop-2-enylnaphthalene-1,6-dicarboxylic acid
CID 139984792

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid?
The IUPAC name of 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid (CID 139984782) is 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid.
What is the SMILES notation for 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid?
The canonical SMILES for 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid is C=CCc1cc(C(=O)O)ccc1C(C)(C)c1ccc(C(=O)O)cc1CC=C.
What is the InChIKey of 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid?
The InChIKey is CGBHWUOFFOKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-5-7-15-13-17(21(24)25)9-11-19(15)23(3,4)20-12-10-18(22(26)27)14-16(20)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3,(H,24,25)(H,26,27).
What are the key properties of 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid?
4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid has a molecular weight of 364.44 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid is sourced from PubChem (CID 139984782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).