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

C22H26O4 — CID 173390928

IUPAC5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
SMILESCCCC=Cc1c(C)cc(-c2c(C)c(O)c(C)c(C)c2O)cc1C(=O)O
InChIInChI=1S/C22H26O4/c1-6-7-8-9-17-12(2)10-16(11-18(17)22(25)26)19-15(5)20(23)13(3)14(4)21(19)24/h8-11,23-24H,6-7H2,1-5H3,(H,25,26)
InChIKeyYGZMDMIEHOOXKR-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.51
Rot. Bonds5

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

5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid (PubChem CID 173390928) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid.

Molecular Properties

Compound Name5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
PubChem CID173390928
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
SMILESCCCC=Cc1c(C)cc(-c2c(C)c(O)c(C)c(C)c2O)cc1C(=O)O
InChIInChI=1S/C22H26O4/c1-6-7-8-9-17-12(2)10-16(11-18(17)22(25)26)19-15(5)20(23)13(3)14(4)21(19)24/h8-11,23-24H,6-7H2,1-5H3,(H,25,26)
InChIKeyYGZMDMIEHOOXKR-UHFFFAOYSA-N
XLogP5.51
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid
CID 173390927
2-methylbenzene-1,3-dicarboxylic acid;pent-1-en-1-ol
CID 158390128
2-(4-methylphenyl)-4-pent-1-enylbenzoic acid
CID 54094546
2-[4-(2,5-dihydroxy-3,4,6-trimethylphenyl)phenyl]-3,5,6-trimethylbenzene-1,4-diol
CID 139945789
3-methyl-2-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478584
5-ethyl-4-hydroxy-3-methyl-2-phenylbenzoic acid
CID 175195543
2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid
CID 143170614
2-[4-(6-carboxy-3-hydroxy-2,4-dimethylphenyl)-2,3,5,6-tetramethylphenyl]-4-hydroxy-3,5-dimethylbenzoic acid
CID 150850601
2-(3-aminoprop-1-enyl)-3-methylbenzoic acid
CID 169463784
4-[(E)-pent-1-enyl]-2-(4-pentylphenyl)benzoic acid
CID 22991408
4-(4-methylcyclohexyl)-2-(4-pent-1-enylphenyl)benzoic acid
CID 54471234
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
The IUPAC name of 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid (CID 173390928) is 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid.
What is the SMILES notation for 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
The canonical SMILES for 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid is CCCC=Cc1c(C)cc(-c2c(C)c(O)c(C)c(C)c2O)cc1C(=O)O.
What is the InChIKey of 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
The InChIKey is YGZMDMIEHOOXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-6-7-8-9-17-12(2)10-16(11-18(17)22(25)26)19-15(5)20(23)13(3)14(4)21(19)24/h8-11,23-24H,6-7H2,1-5H3,(H,25,26).
What are the key properties of 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid?
5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid has a molecular weight of 354.45 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3-methyl-2-pent-1-enylbenzoic acid is sourced from PubChem (CID 173390928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).