2-tert-butyl-1-methoxynaphthalene

C15H18O — CID 169287795

IUPAC2-tert-butyl-1-methoxynaphthalene
SMILESCOc1c(C(C)(C)C)ccc2ccccc12
InChIInChI=1S/C15H18O/c1-15(2,3)13-10-9-11-7-5-6-8-12(11)14(13)16-4/h5-10H,1-4H3
InChIKeyLRTJGVNWZLLMKL-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.15
Rot. Bonds1

About 2-tert-butyl-1-methoxynaphthalene

2-tert-butyl-1-methoxynaphthalene (PubChem CID 169287795) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-tert-butyl-1-methoxynaphthalene.

Molecular Properties

Compound Name2-tert-butyl-1-methoxynaphthalene
PubChem CID169287795
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-tert-butyl-1-methoxynaphthalene
SMILESCOc1c(C(C)(C)C)ccc2ccccc12
InChIInChI=1S/C15H18O/c1-15(2,3)13-10-9-11-7-5-6-8-12(11)14(13)16-4/h5-10H,1-4H3
InChIKeyLRTJGVNWZLLMKL-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1-methoxynaphthalene 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-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol
CID 53255240
2-tert-butyl-1-chloronaphthalene
CID 134942940
1-tert-butyl-7-methoxynaphthalene
CID 608110
sodium 1-methoxynaphthalen-2-olate
CID 139799062
[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 155147385
(1-methoxynaphthalen-2-yl)-trimethylsilane
CID 15173794
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-methoxy-2-propylnaphthalene
CID 19091368
9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
CID 168720021
1-methoxy-N-methylnaphthalene-2-carboximidoyl chloride
CID 59532605
10-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 140946759
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methoxynaphthalene?
The IUPAC name of 2-tert-butyl-1-methoxynaphthalene (CID 169287795) is 2-tert-butyl-1-methoxynaphthalene.
What is the SMILES notation for 2-tert-butyl-1-methoxynaphthalene?
The canonical SMILES for 2-tert-butyl-1-methoxynaphthalene is COc1c(C(C)(C)C)ccc2ccccc12.
What is the InChIKey of 2-tert-butyl-1-methoxynaphthalene?
The InChIKey is LRTJGVNWZLLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-15(2,3)13-10-9-11-7-5-6-8-12(11)14(13)16-4/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-1-methoxynaphthalene?
2-tert-butyl-1-methoxynaphthalene has a molecular weight of 214.31 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methoxynaphthalene is sourced from PubChem (CID 169287795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).