3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid

C20H26O2 — CID 59872938

IUPAC3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid
SMILESCc1c(C)c(C)c2c(C)c(C)c(CC(C)C(=O)O)cc2c1C
InChIInChI=1S/C20H26O2/c1-10(20(21)22)8-17-9-18-14(5)11(2)12(3)15(6)19(18)16(7)13(17)4/h9-10H,8H2,1-7H3,(H,21,22)
InChIKeyCWLNDQXMYAGSJG-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.95
Rot. Bonds3

About 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid

3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid (PubChem CID 59872938) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid
PubChem CID59872938
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid
SMILESCc1c(C)c(C)c2c(C)c(C)c(CC(C)C(=O)O)cc2c1C
InChIInChI=1S/C20H26O2/c1-10(20(21)22)8-17-9-18-14(5)11(2)12(3)15(6)19(18)16(7)13(17)4/h9-10H,8H2,1-7H3,(H,21,22)
InChIKeyCWLNDQXMYAGSJG-UHFFFAOYSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 84700683
3-(4-chloro-3-hydroxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 84801780
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
2-methyl-3-(2-methyl-5-methylsulfonylphenyl)propanoic acid
CID 117394355
2-methyl-3-(2-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117394358
3-(2,5-dimethoxy-3-methylphenyl)-2-methylpropanoic acid
CID 117349142
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
3-(2-bromo-4-methylphenyl)-2-methylpropanoic acid
CID 83731619
3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117378854

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid (CID 59872938) is 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid is Cc1c(C)c(C)c2c(C)c(C)c(CC(C)C(=O)O)cc2c1C.
What is the InChIKey of 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid?
The InChIKey is CWLNDQXMYAGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-10(20(21)22)8-17-9-18-14(5)11(2)12(3)15(6)19(18)16(7)13(17)4/h9-10H,8H2,1-7H3,(H,21,22).
What are the key properties of 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid?
3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid has a molecular weight of 298.43 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5,6,7,8-hexamethylnaphthalen-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 59872938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).