1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene

C27H30O — CID 23193647

IUPAC1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(COc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C27H30O/c1-26(2)16-17-27(3,4)24-18-20(14-15-23(24)26)19-28-25-13-9-8-12-22(25)21-10-6-5-7-11-21/h5-15,18H,16-17,19H2,1-4H3
InChIKeyQOBJMVFVZGFOQI-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.28
Rot. Bonds4

About 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene (PubChem CID 23193647) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
PubChem CID23193647
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(COc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C27H30O/c1-26(2)16-17-27(3,4)24-18-20(14-15-23(24)26)19-28-25-13-9-8-12-22(25)21-10-6-5-7-11-21/h5-15,18H,16-17,19H2,1-4H3
InChIKeyQOBJMVFVZGFOQI-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]phenyl]benzoate
CID 86748479
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
N-methyl-1-[3-(2-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine
CID 172875831
3-[4-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenoxy]propane-1,2-diol
CID 142643192
4-[(2-phenylphenoxy)methyl]pyridin-2-amine
CID 62464761
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
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
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene (CID 23193647) is 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(COc3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene?
The InChIKey is QOBJMVFVZGFOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-26(2)16-17-27(3,4)24-18-20(14-15-23(24)26)19-28-25-13-9-8-12-22(25)21-10-6-5-7-11-21/h5-15,18H,16-17,19H2,1-4H3.
What are the key properties of 1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene has a molecular weight of 370.54 g/mol, XLogP of 7.28, 4 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-[(2-phenylphenoxy)methyl]-2,3-dihydronaphthalene is sourced from PubChem (CID 23193647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).