4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene

C18H26O — CID 22218198

IUPAC4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene
SMILESCOc1cc2c(cc1C)C(C)(C)CC=C2C(C)(C)C
InChIInChI=1S/C18H26O/c1-12-10-15-13(11-16(12)19-7)14(17(2,3)4)8-9-18(15,5)6/h8,10-11H,9H2,1-7H3
InChIKeyFNSMYEVBZZYSGX-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.11
Rot. Bonds1

About 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene

4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene (PubChem CID 22218198) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene.

Molecular Properties

Compound Name4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene
PubChem CID22218198
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene
SMILESCOc1cc2c(cc1C)C(C)(C)CC=C2C(C)(C)C
InChIInChI=1S/C18H26O/c1-12-10-15-13(11-16(12)19-7)14(17(2,3)4)8-9-18(15,5)6/h8,10-11H,9H2,1-7H3
InChIKeyFNSMYEVBZZYSGX-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
6-methoxy-1,1,4-trimethyl-2H-naphthalene
CID 20646489
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]-N-methylpropan-2-amine
CID 116872267
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
2-[5-(2-hydroxy-5-methoxy-4-methylphenyl)-2,4-dimethoxyphenyl]-4-methoxy-5-methylphenol
CID 132572459
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene?
The IUPAC name of 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene (CID 22218198) is 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene.
What is the SMILES notation for 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene?
The canonical SMILES for 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene is COc1cc2c(cc1C)C(C)(C)CC=C2C(C)(C)C.
What is the InChIKey of 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene?
The InChIKey is FNSMYEVBZZYSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-12-10-15-13(11-16(12)19-7)14(17(2,3)4)8-9-18(15,5)6/h8,10-11H,9H2,1-7H3.
What are the key properties of 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene?
4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene has a molecular weight of 258.40 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methoxy-1,1,7-trimethyl-2H-naphthalene is sourced from PubChem (CID 22218198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).