4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid

C18H26O2 — CID 65395327

IUPAC4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(CC2(C(=O)O)CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H26O2/c1-12-5-7-18(8-6-12,17(19)20)11-16-14(3)9-13(2)10-15(16)4/h9-10,12H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyFJAMUVQTFXYMKS-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.44
Rot. Bonds3

About 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 65395327) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID65395327
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(CC2(C(=O)O)CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H26O2/c1-12-5-7-18(8-6-12,17(19)20)11-16-14(3)9-13(2)10-15(16)4/h9-10,12H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyFJAMUVQTFXYMKS-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 64514526
3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62739415
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 65403094
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65395743
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 64513860
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 79711478
2,3-dimethyl-1-[2-(2,4,6-trimethylphenyl)acetyl]cyclobutane-1-carboxylic acid
CID 139760976
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 102621060

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid (CID 65395327) is 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid is Cc1cc(C)c(CC2(C(=O)O)CCC(C)CC2)c(C)c1.
What is the InChIKey of 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FJAMUVQTFXYMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-12-5-7-18(8-6-12,17(19)20)11-16-14(3)9-13(2)10-15(16)4/h9-10,12H,5-8,11H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65395327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).