4-butyl-8-tert-butylnaphthalen-1-ol

C18H24O — CID 23313268

IUPAC4-butyl-8-tert-butylnaphthalen-1-ol
SMILESCCCCc1ccc(O)c2c(C(C)(C)C)cccc12
InChIInChI=1S/C18H24O/c1-5-6-8-13-11-12-16(19)17-14(13)9-7-10-15(17)18(2,3)4/h7,9-12,19H,5-6,8H2,1-4H3
InChIKeyVSNYUCLCMMEUOQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.19
Rot. Bonds3

About 4-butyl-8-tert-butylnaphthalen-1-ol

4-butyl-8-tert-butylnaphthalen-1-ol (PubChem CID 23313268) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-butyl-8-tert-butylnaphthalen-1-ol.

Molecular Properties

Compound Name4-butyl-8-tert-butylnaphthalen-1-ol
PubChem CID23313268
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name4-butyl-8-tert-butylnaphthalen-1-ol
SMILESCCCCc1ccc(O)c2c(C(C)(C)C)cccc12
InChIInChI=1S/C18H24O/c1-5-6-8-13-11-12-16(19)17-14(13)9-7-10-15(17)18(2,3)4/h7,9-12,19H,5-6,8H2,1-4H3
InChIKeyVSNYUCLCMMEUOQ-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butyl-8-tert-butylnaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-pentadecylphenol
CID 151192860
5-butylacenaphthylene
CID 173460054
calcium bis(5,8-dibutylnaphthalene-1-sulfonate)
CID 101324509
5,8-dipentylnaphthalene-1-sulfonic acid
CID 101322538
4-ethyl-1,5-dipentylnaphthalene
CID 90697444
4,8-dipentylnaphthalene-1-sulfonic acid
CID 101322532
5-undecylquinolin-8-ol
CID 10780517
2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol
CID 67180305
2-tert-butyl-3-nonylphenol
CID 150872346
2,3-ditert-butyl-4-heptylphenol
CID 141294760
1-butylnaphthalene;ethane
CID 142087052
2-(2,5-ditert-butyl-4-octylphenyl)phenol
CID 159042463

Frequently Asked Questions

What is the IUPAC name of 4-butyl-8-tert-butylnaphthalen-1-ol?
The IUPAC name of 4-butyl-8-tert-butylnaphthalen-1-ol (CID 23313268) is 4-butyl-8-tert-butylnaphthalen-1-ol.
What is the SMILES notation for 4-butyl-8-tert-butylnaphthalen-1-ol?
The canonical SMILES for 4-butyl-8-tert-butylnaphthalen-1-ol is CCCCc1ccc(O)c2c(C(C)(C)C)cccc12.
What is the InChIKey of 4-butyl-8-tert-butylnaphthalen-1-ol?
The InChIKey is VSNYUCLCMMEUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-5-6-8-13-11-12-16(19)17-14(13)9-7-10-15(17)18(2,3)4/h7,9-12,19H,5-6,8H2,1-4H3.
What are the key properties of 4-butyl-8-tert-butylnaphthalen-1-ol?
4-butyl-8-tert-butylnaphthalen-1-ol has a molecular weight of 256.39 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-8-tert-butylnaphthalen-1-ol is sourced from PubChem (CID 23313268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).