2-tert-butylnaphthalen-1-ol

C14H16O — CID 10910545

IUPAC2-tert-butylnaphthalen-1-ol
SMILESCC(C)(C)c1ccc2ccccc2c1O
InChIInChI=1S/C14H16O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9,15H,1-3H3
InChIKeyPZERHTYUARNDEK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.84
Rot. Bonds

About 2-tert-butylnaphthalen-1-ol

2-tert-butylnaphthalen-1-ol (PubChem CID 10910545) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-tert-butylnaphthalen-1-ol.

Molecular Properties

Compound Name2-tert-butylnaphthalen-1-ol
PubChem CID10910545
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-tert-butylnaphthalen-1-ol
SMILESCC(C)(C)c1ccc2ccccc2c1O
InChIInChI=1S/C14H16O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9,15H,1-3H3
InChIKeyPZERHTYUARNDEK-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylnaphthalen-1-ol?
The IUPAC name of 2-tert-butylnaphthalen-1-ol (CID 10910545) is 2-tert-butylnaphthalen-1-ol.
What is the SMILES notation for 2-tert-butylnaphthalen-1-ol?
The canonical SMILES for 2-tert-butylnaphthalen-1-ol is CC(C)(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-tert-butylnaphthalen-1-ol?
The InChIKey is PZERHTYUARNDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9,15H,1-3H3.
What are the key properties of 2-tert-butylnaphthalen-1-ol?
2-tert-butylnaphthalen-1-ol has a molecular weight of 200.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylnaphthalen-1-ol is sourced from PubChem (CID 10910545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).