4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid

C16H18O2 — CID 142774133

IUPAC4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCc1cccc(C)c1C1=CCC(C)(C(=O)O)C=C1
InChIInChI=1S/C16H18O2/c1-11-5-4-6-12(2)14(11)13-7-9-16(3,10-8-13)15(17)18/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyXEWCJTWEILCMCG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.74
Rot. Bonds2

About 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid

4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 142774133) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID142774133
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCc1cccc(C)c1C1=CCC(C)(C(=O)O)C=C1
InChIInChI=1S/C16H18O2/c1-11-5-4-6-12(2)14(11)13-7-9-16(3,10-8-13)15(17)18/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyXEWCJTWEILCMCG-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 154273567
4-[1-[[4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carbonyl]amino]-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]benzoic acid
CID 150150091
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
bis(4-benzoyl-4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 67009867
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
2-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991718
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
4-(2-bromophenyl)-1-methoxycarbonylcyclohexa-2,4-diene-1-carboxylic acid
CID 175214208
ethyl 1-acetyl-4-phenylcyclohexa-2,4-diene-1-carboxylate
CID 154480579
tert-butyl N-(1-amino-4-phenylcyclohexa-2,4-dien-1-yl)carbamate
CID 174422621
1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene
CID 175266507
3-amino-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 175581785

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid (CID 142774133) is 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid is Cc1cccc(C)c1C1=CCC(C)(C(=O)O)C=C1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is XEWCJTWEILCMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-5-4-6-12(2)14(11)13-7-9-16(3,10-8-13)15(17)18/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid?
4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-1-methylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 142774133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).