3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid

C23H26O3 — CID 10473090

IUPAC3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
SMILESCc1cc2c(cc1C(=O)c1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H26O3/c1-14-11-18-19(23(4,5)10-9-22(18,2)3)13-17(14)20(24)15-7-6-8-16(12-15)21(25)26/h6-8,11-13H,9-10H2,1-5H3,(H,25,26)
InChIKeyGLVGHPNCCBMWFS-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.27
Rot. Bonds3

About 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid

3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid (PubChem CID 10473090) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
PubChem CID10473090
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
SMILESCc1cc2c(cc1C(=O)c1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H26O3/c1-14-11-18-19(23(4,5)10-9-22(18,2)3)13-17(14)20(24)15-7-6-8-16(12-15)21(25)26/h6-8,11-13H,9-10H2,1-5H3,(H,25,26)
InChIKeyGLVGHPNCCBMWFS-UHFFFAOYSA-N
XLogP5.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The IUPAC name of 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid (CID 10473090) is 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid.
What is the SMILES notation for 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The canonical SMILES for 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid is Cc1cc2c(cc1C(=O)c1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The InChIKey is GLVGHPNCCBMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-14-11-18-19(23(4,5)10-9-22(18,2)3)13-17(14)20(24)15-7-6-8-16(12-15)21(25)26/h6-8,11-13H,9-10H2,1-5H3,(H,25,26).
What are the key properties of 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid has a molecular weight of 350.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid is sourced from PubChem (CID 10473090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).