2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol

C21H22O2 — CID 102189709

IUPAC2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
SMILESCOc1ccc2ccccc2c1-c1c(C(C)C)ccc(C)c1O
InChIInChI=1S/C21H22O2/c1-13(2)16-11-9-14(3)21(22)20(16)19-17-8-6-5-7-15(17)10-12-18(19)23-4/h5-13,22H,1-4H3
InChIKeyWQDMECTTWWGQNA-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.65
Rot. Bonds3

About 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol

2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol (PubChem CID 102189709) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
PubChem CID102189709
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
SMILESCOc1ccc2ccccc2c1-c1c(C(C)C)ccc(C)c1O
InChIInChI=1S/C21H22O2/c1-13(2)16-11-9-14(3)21(22)20(16)19-17-8-6-5-7-15(17)10-12-18(19)23-4/h5-13,22H,1-4H3
InChIKeyWQDMECTTWWGQNA-UHFFFAOYSA-N
XLogP5.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
CID 19862843
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
CID 18736755
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene
CID 10408078
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
CID 132597550
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 162415207
2-(hydroxymethyl)-6-methoxy-3-propan-2-ylphenol
CID 84666960
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
CID 165084325

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol (CID 102189709) is 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol is COc1ccc2ccccc2c1-c1c(C(C)C)ccc(C)c1O.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol?
The InChIKey is WQDMECTTWWGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-13(2)16-11-9-14(3)21(22)20(16)19-17-8-6-5-7-15(17)10-12-18(19)23-4/h5-13,22H,1-4H3.
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol?
2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol has a molecular weight of 306.41 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 102189709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).