1-tert-butyl-7-methoxynaphthalene

C15H18O — CID 608110

IUPAC1-tert-butyl-7-methoxynaphthalene
SMILESCOc1ccc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C15H18O/c1-15(2,3)14-7-5-6-11-8-9-12(16-4)10-13(11)14/h5-10H,1-4H3
InChIKeyKGIHXPXSMAHFPD-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.15
Rot. Bonds1

About 1-tert-butyl-7-methoxynaphthalene

1-tert-butyl-7-methoxynaphthalene (PubChem CID 608110) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-tert-butyl-7-methoxynaphthalene.

Molecular Properties

Compound Name1-tert-butyl-7-methoxynaphthalene
PubChem CID608110
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-tert-butyl-7-methoxynaphthalene
SMILESCOc1ccc2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C15H18O/c1-15(2,3)14-7-5-6-11-8-9-12(16-4)10-13(11)14/h5-10H,1-4H3
InChIKeyKGIHXPXSMAHFPD-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

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Related Compounds

1,7-ditert-butylnaphthalene
CID 59350345
(8-tert-butylnaphthalen-2-yl)phosphane
CID 166789589
2-tert-butyl-1-methoxynaphthalene
CID 169287795
3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
CID 67652493
N-tert-butyl-7-methoxynaphthalene-1-sulfonamide
CID 14121039
2-tert-butyl-1-(4-methoxyphenyl)pyrene
CID 175568076
2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
CID 105485586
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
4-tert-butyl-6-methoxyquinoline
CID 58989607
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-methoxynaphthalene?
The IUPAC name of 1-tert-butyl-7-methoxynaphthalene (CID 608110) is 1-tert-butyl-7-methoxynaphthalene.
What is the SMILES notation for 1-tert-butyl-7-methoxynaphthalene?
The canonical SMILES for 1-tert-butyl-7-methoxynaphthalene is COc1ccc2cccc(C(C)(C)C)c2c1.
What is the InChIKey of 1-tert-butyl-7-methoxynaphthalene?
The InChIKey is KGIHXPXSMAHFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-15(2,3)14-7-5-6-11-8-9-12(16-4)10-13(11)14/h5-10H,1-4H3.
What are the key properties of 1-tert-butyl-7-methoxynaphthalene?
1-tert-butyl-7-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 1-tert-butyl-7-methoxynaphthalene is sourced from PubChem (CID 608110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).