6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C21H25ClO — CID 141000856

IUPAC6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H25ClO/c1-20(2)11-12-21(3,4)19-13-17(9-10-18(19)20)23-14-15-5-7-16(22)8-6-15/h5-10,13H,11-12,14H2,1-4H3
InChIKeyZITYBESQLQSGDK-UHFFFAOYSA-N
MW328.88 g/mol
LogP6.27
Rot. Bonds3

About 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 141000856) has the molecular formula C21H25ClO and a molecular weight of 328.88 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID141000856
Molecular FormulaC21H25ClO
Molecular Weight328.88 g/mol
Exact Mass328.16
IUPAC Name6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H25ClO/c1-20(2)11-12-21(3,4)19-13-17(9-10-18(19)20)23-14-15-5-7-16(22)8-6-15/h5-10,13H,11-12,14H2,1-4H3
InChIKeyZITYBESQLQSGDK-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.88
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethyl]phenyl]methanamine
CID 14850581
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 76771717
2-[3-methyl-2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]oxiran-2-yl]acetic acid
CID 141372793
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
6-[(4-chlorophenyl)methoxy]-1H-indole
CID 154090222
3'-methyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 90963447
2-chloro-6-phenylmethoxynaphthalene
CID 125116795

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 141000856) is 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(OCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is ZITYBESQLQSGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClO/c1-20(2)11-12-21(3,4)19-13-17(9-10-18(19)20)23-14-15-5-7-16(22)8-6-15/h5-10,13H,11-12,14H2,1-4H3.
What are the key properties of 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 328.88 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 141000856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).