1-tert-butyl-5-methylnaphthalen-2-ol

C15H18O — CID 167253072

IUPAC1-tert-butyl-5-methylnaphthalen-2-ol
SMILESCc1cccc2c(C(C)(C)C)c(O)ccc12
InChIInChI=1S/C15H18O/c1-10-6-5-7-12-11(10)8-9-13(16)14(12)15(2,3)4/h5-9,16H,1-4H3
InChIKeyBVLUCQFOWSGSNQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.15
Rot. Bonds

About 1-tert-butyl-5-methylnaphthalen-2-ol

1-tert-butyl-5-methylnaphthalen-2-ol (PubChem CID 167253072) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-tert-butyl-5-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-tert-butyl-5-methylnaphthalen-2-ol
PubChem CID167253072
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-tert-butyl-5-methylnaphthalen-2-ol
SMILESCc1cccc2c(C(C)(C)C)c(O)ccc12
InChIInChI=1S/C15H18O/c1-10-6-5-7-12-11(10)8-9-13(16)14(12)15(2,3)4/h5-9,16H,1-4H3
InChIKeyBVLUCQFOWSGSNQ-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-5-methylnaphthalen-2-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 1-tert-butyl-5-methylnaphthalen-2-ol?
The IUPAC name of 1-tert-butyl-5-methylnaphthalen-2-ol (CID 167253072) is 1-tert-butyl-5-methylnaphthalen-2-ol.
What is the SMILES notation for 1-tert-butyl-5-methylnaphthalen-2-ol?
The canonical SMILES for 1-tert-butyl-5-methylnaphthalen-2-ol is Cc1cccc2c(C(C)(C)C)c(O)ccc12.
What is the InChIKey of 1-tert-butyl-5-methylnaphthalen-2-ol?
The InChIKey is BVLUCQFOWSGSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-10-6-5-7-12-11(10)8-9-13(16)14(12)15(2,3)4/h5-9,16H,1-4H3.
What are the key properties of 1-tert-butyl-5-methylnaphthalen-2-ol?
1-tert-butyl-5-methylnaphthalen-2-ol has a molecular weight of 214.31 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methylnaphthalen-2-ol is sourced from PubChem (CID 167253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).