2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol

C22H29NO2 — CID 69418143

IUPAC2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol
SMILESCc1nc2c(o1)CCCC2(O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H29NO2/c1-14-23-19-18(25-14)7-6-10-22(19,24)15-8-9-16-17(13-15)21(4,5)12-11-20(16,2)3/h8-9,13,24H,6-7,10-12H2,1-5H3
InChIKeyLSQHVXLDBZGBEF-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.90
Rot. Bonds1

About 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol

2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol (PubChem CID 69418143) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol.

Molecular Properties

Compound Name2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol
PubChem CID69418143
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol
SMILESCc1nc2c(o1)CCCC2(O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H29NO2/c1-14-23-19-18(25-14)7-6-10-22(19,24)15-8-9-16-17(13-15)21(4,5)12-11-20(16,2)3/h8-9,13,24H,6-7,10-12H2,1-5H3
InChIKeyLSQHVXLDBZGBEF-UHFFFAOYSA-N
XLogP4.90
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol 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 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol?
The IUPAC name of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol (CID 69418143) is 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol.
What is the SMILES notation for 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol?
The canonical SMILES for 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol is Cc1nc2c(o1)CCCC2(O)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol?
The InChIKey is LSQHVXLDBZGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-14-23-19-18(25-14)7-6-10-22(19,24)15-8-9-16-17(13-15)21(4,5)12-11-20(16,2)3/h8-9,13,24H,6-7,10-12H2,1-5H3.
What are the key properties of 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol?
2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol has a molecular weight of 339.48 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-ol is sourced from PubChem (CID 69418143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).