3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol

C22H30O3 — CID 155461207

IUPAC3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol
SMILESCCCCCc1cc(O)c(-c2cccc(C)c2)c(OC(C)(C)OC)c1
InChIInChI=1S/C22H30O3/c1-6-7-8-11-17-14-19(23)21(18-12-9-10-16(2)13-18)20(15-17)25-22(3,4)24-5/h9-10,12-15,23H,6-8,11H2,1-5H3
InChIKeyIFASEPNZQDSZHH-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.86
Rot. Bonds8

About 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol

3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol (PubChem CID 155461207) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol
PubChem CID155461207
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol
SMILESCCCCCc1cc(O)c(-c2cccc(C)c2)c(OC(C)(C)OC)c1
InChIInChI=1S/C22H30O3/c1-6-7-8-11-17-14-19(23)21(18-12-9-10-16(2)13-18)20(15-17)25-22(3,4)24-5/h9-10,12-15,23H,6-8,11H2,1-5H3
InChIKeyIFASEPNZQDSZHH-UHFFFAOYSA-N
XLogP5.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methylphenyl)-5-pentyl-3-(2-phosphonooxypropan-2-yloxy)phenoxy]propan-2-yl dihydrogen phosphate
CID 155575881
ethyl 3-[[3-hydroxy-2-(3-methylphenyl)-5-pentylphenoxy]-methoxyphosphoryl]propanoate
CID 155575697
[benzyl-[3-hydroxy-2-(3-methylphenyl)-5-pentylphenoxy]phosphoryl]oxymethyl acetate
CID 155575547
methyl-[2-(3-methylphenyl)-3-[methyl(propoxy)phosphanyl]oxy-5-pentylphenoxy]-propoxyphosphane
CID 155575868
2-(3-methylphenyl)-1-nitroso-5-pentyl-3-propan-2-yloxybenzene
CID 174245324
3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol
CID 155575581
1,3-bis[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-(3-methylphenyl)-5-pentylbenzene
CID 155461334
methyl (2S)-2-[[[3-[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-propylphosphoryl]oxy-2-(3-methylphenyl)-5-pentylphenoxy]-propylphosphoryl]amino]propanoate
CID 155575696
2,6-dimethoxy-4-pentylphenol
CID 22625510
2-[2-(2,6-dimethoxy-4-pentylphenyl)-4-methylphenyl](1,3-13C2)propan-2-ol
CID 171600725
5-[2,4-dihydroxy-3-(3-methylphenyl)-6-pentylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 155575423
ethane;1-methyl-3-pentylbenzene
CID 143267779

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol?
The IUPAC name of 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol (CID 155461207) is 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol.
What is the SMILES notation for 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol?
The canonical SMILES for 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol is CCCCCc1cc(O)c(-c2cccc(C)c2)c(OC(C)(C)OC)c1.
What is the InChIKey of 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol?
The InChIKey is IFASEPNZQDSZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-6-7-8-11-17-14-19(23)21(18-12-9-10-16(2)13-18)20(15-17)25-22(3,4)24-5/h9-10,12-15,23H,6-8,11H2,1-5H3.
What are the key properties of 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol?
3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol has a molecular weight of 342.48 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol is sourced from PubChem (CID 155461207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).