5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid

C24H30O4 — CID 173390927

IUPAC5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
SMILESCCCC=Cc1c(C)cc(-c2c(C)c(OC)c(C)c(C)c2OC)cc1C(=O)O
InChIInChI=1S/C24H30O4/c1-8-9-10-11-19-14(2)12-18(13-20(19)24(25)26)21-17(5)22(27-6)15(3)16(4)23(21)28-7/h10-13H,8-9H2,1-7H3,(H,25,26)
InChIKeyNJKSJVDQQMILGL-UHFFFAOYSA-N
MW382.50 g/mol
LogP6.12
Rot. Bonds7

About 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid

5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid (PubChem CID 173390927) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid.

Molecular Properties

Compound Name5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
PubChem CID173390927
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
SMILESCCCC=Cc1c(C)cc(-c2c(C)c(OC)c(C)c(C)c2OC)cc1C(=O)O
InChIInChI=1S/C24H30O4/c1-8-9-10-11-19-14(2)12-18(13-20(19)24(25)26)21-17(5)22(27-6)15(3)16(4)23(21)28-7/h10-13H,8-9H2,1-7H3,(H,25,26)
InChIKeyNJKSJVDQQMILGL-UHFFFAOYSA-N
XLogP6.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
The IUPAC name of 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid (CID 173390927) is 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid.
What is the SMILES notation for 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
The canonical SMILES for 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid is CCCC=Cc1c(C)cc(-c2c(C)c(OC)c(C)c(C)c2OC)cc1C(=O)O.
What is the InChIKey of 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
The InChIKey is NJKSJVDQQMILGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-8-9-10-11-19-14(2)12-18(13-20(19)24(25)26)21-17(5)22(27-6)15(3)16(4)23(21)28-7/h10-13H,8-9H2,1-7H3,(H,25,26).
What are the key properties of 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid has a molecular weight of 382.50 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid is sourced from PubChem (CID 173390927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).