2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol

C24H28O — CID 54501397

IUPAC2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol
SMILESCc1cc(-c2c(C)c(C)c(O)c3c(C)c(C)c(C)cc23)cc(C)c1C
InChIInChI=1S/C24H28O/c1-12-9-20(10-13(2)15(12)4)22-18(7)19(8)24(25)23-17(6)16(5)14(3)11-21(22)23/h9-11,25H,1-8H3
InChIKeyYCRIZQLELUUJFY-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.68
Rot. Bonds1

About 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol

2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol (PubChem CID 54501397) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol
PubChem CID54501397
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol
SMILESCc1cc(-c2c(C)c(C)c(O)c3c(C)c(C)c(C)cc23)cc(C)c1C
InChIInChI=1S/C24H28O/c1-12-9-20(10-13(2)15(12)4)22-18(7)19(8)24(25)23-17(6)16(5)14(3)11-21(22)23/h9-11,25H,1-8H3
InChIKeyYCRIZQLELUUJFY-UHFFFAOYSA-N
XLogP6.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol?
The IUPAC name of 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol (CID 54501397) is 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol.
What is the SMILES notation for 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol?
The canonical SMILES for 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol is Cc1cc(-c2c(C)c(C)c(O)c3c(C)c(C)c(C)cc23)cc(C)c1C.
What is the InChIKey of 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol?
The InChIKey is YCRIZQLELUUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-12-9-20(10-13(2)15(12)4)22-18(7)19(8)24(25)23-17(6)16(5)14(3)11-21(22)23/h9-11,25H,1-8H3.
What are the key properties of 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol?
2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol has a molecular weight of 332.49 g/mol, XLogP of 6.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8-pentamethyl-4-(3,4,5-trimethylphenyl)naphthalen-1-ol is sourced from PubChem (CID 54501397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).