4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid

C25H30O3 — CID 10022568

IUPAC4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
SMILESCCCc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30O3/c1-6-7-18-14-20-21(25(4,5)13-12-24(20,2)3)15-19(18)22(26)16-8-10-17(11-9-16)23(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28)
InChIKeyYOYWDYIPQNDPMQ-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.92
Rot. Bonds5

About 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid

4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid (PubChem CID 10022568) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
PubChem CID10022568
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
SMILESCCCc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30O3/c1-6-7-18-14-20-21(25(4,5)13-12-24(20,2)3)15-19(18)22(26)16-8-10-17(11-9-16)23(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28)
InChIKeyYOYWDYIPQNDPMQ-UHFFFAOYSA-N
XLogP5.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The IUPAC name of 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid (CID 10022568) is 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid.
What is the SMILES notation for 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The canonical SMILES for 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid is CCCc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The InChIKey is YOYWDYIPQNDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c1-6-7-18-14-20-21(25(4,5)13-12-24(20,2)3)15-19(18)22(26)16-8-10-17(11-9-16)23(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28).
What are the key properties of 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid has a molecular weight of 378.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid is sourced from PubChem (CID 10022568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).