6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid

C25H26O2 — CID 19831778

IUPAC6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid
SMILESCC1CC(C)(C)c2ccc(-c3ccc4cc(C(=O)O)ccc4c3)cc2C1C
InChIInChI=1S/C25H26O2/c1-15-14-25(3,4)23-10-9-20(13-22(23)16(15)2)18-5-6-19-12-21(24(26)27)8-7-17(19)11-18/h5-13,15-16H,14H2,1-4H3,(H,26,27)
InChIKeyHOTGAPVPUWCBDF-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.63
Rot. Bonds2

About 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid

6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid (PubChem CID 19831778) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid
PubChem CID19831778
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid
SMILESCC1CC(C)(C)c2ccc(-c3ccc4cc(C(=O)O)ccc4c3)cc2C1C
InChIInChI=1S/C25H26O2/c1-15-14-25(3,4)23-10-9-20(13-22(23)16(15)2)18-5-6-19-12-21(24(26)27)8-7-17(19)11-18/h5-13,15-16H,14H2,1-4H3,(H,26,27)
InChIKeyHOTGAPVPUWCBDF-UHFFFAOYSA-N
XLogP6.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid (CID 19831778) is 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid is CC1CC(C)(C)c2ccc(-c3ccc4cc(C(=O)O)ccc4c3)cc2C1C.
What is the InChIKey of 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid?
The InChIKey is HOTGAPVPUWCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-15-14-25(3,4)23-10-9-20(13-22(23)16(15)2)18-5-6-19-12-21(24(26)27)8-7-17(19)11-18/h5-13,15-16H,14H2,1-4H3,(H,26,27).
What are the key properties of 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid?
6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid has a molecular weight of 358.48 g/mol, XLogP of 6.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5,7,8-tetramethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 19831778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).