7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid

C24H26O3 — CID 70374661

IUPAC7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)oc12
InChIInChI=1S/C24H26O3/c1-14-17(22(25)26)8-6-16-13-20(27-21(14)16)15-7-9-18-19(12-15)24(4,5)11-10-23(18,2)3/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
InChIKeyZHAIJTOBXGSPCK-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.46
Rot. Bonds2

About 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid

7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid (PubChem CID 70374661) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid
PubChem CID70374661
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)oc12
InChIInChI=1S/C24H26O3/c1-14-17(22(25)26)8-6-16-13-20(27-21(14)16)15-7-9-18-19(12-15)24(4,5)11-10-23(18,2)3/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
InChIKeyZHAIJTOBXGSPCK-UHFFFAOYSA-N
XLogP6.46
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid?
The IUPAC name of 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid (CID 70374661) is 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid is Cc1c(C(=O)O)ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)oc12.
What is the InChIKey of 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid?
The InChIKey is ZHAIJTOBXGSPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-14-17(22(25)26)8-6-16-13-20(27-21(14)16)15-7-9-18-19(12-15)24(4,5)11-10-23(18,2)3/h6-9,12-13H,10-11H2,1-5H3,(H,25,26).
What are the key properties of 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid?
7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 6.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 70374661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).