5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C22H28O2 — CID 141105615

IUPAC5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOc1cccc(COc2cccc3c2C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C22H28O2/c1-21(2)12-13-22(3,4)20-18(21)10-7-11-19(20)24-15-16-8-6-9-17(14-16)23-5/h6-11,14H,12-13,15H2,1-5H3
InChIKeyCMEPHONCEOCVLZ-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.62
Rot. Bonds4

About 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 141105615) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID141105615
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCOc1cccc(COc2cccc3c2C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C22H28O2/c1-21(2)12-13-22(3,4)20-18(21)10-7-11-19(20)24-15-16-8-6-9-17(14-16)23-5/h6-11,14H,12-13,15H2,1-5H3
InChIKeyCMEPHONCEOCVLZ-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43185600
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[(3-methoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091349
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 141105615) is 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is COc1cccc(COc2cccc3c2C(C)(C)CCC3(C)C)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is CMEPHONCEOCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-21(2)12-13-22(3,4)20-18(21)10-7-11-19(20)24-15-16-8-6-9-17(14-16)23-5/h6-11,14H,12-13,15H2,1-5H3.
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 324.46 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 141105615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).