2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol

C29H34O2 — CID 159191921

IUPAC2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1ccc2cc(O)ccc2c1.COc1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H18O.C14H16O/c1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h5-10H,1-4H3;4-9,15H,1-3H3
InChIKeyKOEPSMJZABWZCO-UHFFFAOYSA-N
MW414.59 g/mol
LogP7.99
Rot. Bonds1

About 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol

2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol (PubChem CID 159191921) has the molecular formula C29H34O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol.

Molecular Properties

Compound Name2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
PubChem CID159191921
Molecular FormulaC29H34O2
Molecular Weight414.59 g/mol
Exact Mass414.26
IUPAC Name2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1ccc2cc(O)ccc2c1.COc1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H18O.C14H16O/c1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h5-10H,1-4H3;4-9,15H,1-3H3
InChIKeyKOEPSMJZABWZCO-UHFFFAOYSA-N
XLogP7.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536
1-cyclopropyl-1-(6-methoxynaphthalen-2-yl)ethanol
CID 91658263
6-(3-methylpentan-3-yl)naphthalen-2-ol
CID 172584757
4-tert-butyl-2-(4-methoxyanilino)phenol
CID 50924521
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
2,6-ditert-butylanthracene
CID 15740416
methane;4-methoxyphenol
CID 159494332

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol?
The IUPAC name of 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol (CID 159191921) is 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol.
What is the SMILES notation for 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol?
The canonical SMILES for 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol is CC(C)(C)c1ccc2cc(O)ccc2c1.COc1ccc2cc(C(C)(C)C)ccc2c1.
What is the InChIKey of 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol?
The InChIKey is KOEPSMJZABWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.C14H16O/c1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h5-10H,1-4H3;4-9,15H,1-3H3.
What are the key properties of 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol?
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol has a molecular weight of 414.59 g/mol, XLogP of 7.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol is sourced from PubChem (CID 159191921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).