6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol

C18H24O — CID 175557126

IUPAC6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol
SMILESCCC(C)(C)C(C)(C)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H24O/c1-6-17(2,3)18(4,5)15-9-7-14-12-16(19)10-8-13(14)11-15/h7-12,19H,6H2,1-5H3
InChIKeyIRJQKFZZLHZERY-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.26
Rot. Bonds3

About 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol

6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol (PubChem CID 175557126) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol
PubChem CID175557126
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol
SMILESCCC(C)(C)C(C)(C)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H24O/c1-6-17(2,3)18(4,5)15-9-7-14-12-16(19)10-8-13(14)11-15/h7-12,19H,6H2,1-5H3
InChIKeyIRJQKFZZLHZERY-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol?
The IUPAC name of 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol (CID 175557126) is 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol is CCC(C)(C)C(C)(C)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol?
The InChIKey is IRJQKFZZLHZERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-6-17(2,3)18(4,5)15-9-7-14-12-16(19)10-8-13(14)11-15/h7-12,19H,6H2,1-5H3.
What are the key properties of 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol?
6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol has a molecular weight of 256.39 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 175557126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).