1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene

C21H26O — CID 91488860

IUPAC1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C21H26O/c1-20(2)12-13-21(3,4)19-14-17(10-11-18(19)20)22-15-16-8-6-5-7-9-16/h5-11,14H,12-13,15H2,1-4H3
InChIKeyCEXXPAAKTNDGQI-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.61
Rot. Bonds3

About 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene (PubChem CID 91488860) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
PubChem CID91488860
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C21H26O/c1-20(2)12-13-21(3,4)19-14-17(10-11-18(19)20)22-15-16-8-6-5-7-9-16/h5-11,14H,12-13,15H2,1-4H3
InChIKeyCEXXPAAKTNDGQI-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141000856
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
CID 14850581
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
benzyl 2-hydroxy-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethoxy]benzoate
CID 67808421
3,3-dimethyl-2H-1-benzofuran-6-ol;3,3-dimethyl-6-phenylmethoxy-2H-1-benzofuran
CID 157225456
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
2,3,3-trimethyl-5-phenylmethoxyindole
CID 153467530
1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
CID 23193647
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
CID 18792286
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 155036156

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene (CID 91488860) is 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene?
The InChIKey is CEXXPAAKTNDGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-20(2)12-13-21(3,4)19-14-17(10-11-18(19)20)22-15-16-8-6-5-7-9-16/h5-11,14H,12-13,15H2,1-4H3.
What are the key properties of 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene has a molecular weight of 294.44 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene is sourced from PubChem (CID 91488860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).