1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid

C24H27NO2 — CID 71584530

IUPAC1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid
SMILESCc1cc2c(cc1-n1ccc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H27NO2/c1-15-12-18-19(24(4,5)10-9-23(18,2)3)14-21(15)25-11-8-16-13-17(22(26)27)6-7-20(16)25/h6-8,11-14H,9-10H2,1-5H3,(H,26,27)
InChIKeyVQOPKHQLHMCHMC-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.99
Rot. Bonds2

About 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid

1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid (PubChem CID 71584530) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid
PubChem CID71584530
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid
SMILESCc1cc2c(cc1-n1ccc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H27NO2/c1-15-12-18-19(24(4,5)10-9-23(18,2)3)14-21(15)25-11-8-16-13-17(22(26)27)6-7-20(16)25/h6-8,11-14H,9-10H2,1-5H3,(H,26,27)
InChIKeyVQOPKHQLHMCHMC-UHFFFAOYSA-N
XLogP5.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid?
The IUPAC name of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid (CID 71584530) is 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid?
The canonical SMILES for 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid is Cc1cc2c(cc1-n1ccc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid?
The InChIKey is VQOPKHQLHMCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-15-12-18-19(24(4,5)10-9-23(18,2)3)14-21(15)25-11-8-16-13-17(22(26)27)6-7-20(16)25/h6-8,11-14H,9-10H2,1-5H3,(H,26,27).
What are the key properties of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid?
1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid has a molecular weight of 361.49 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylic acid is sourced from PubChem (CID 71584530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).