2-ethyl-5-(4-methoxybutoxy)phenol

C13H20O3 — CID 135193551

IUPAC2-ethyl-5-(4-methoxybutoxy)phenol
SMILESCCc1ccc(OCCCCOC)cc1O
InChIInChI=1S/C13H20O3/c1-3-11-6-7-12(10-13(11)14)16-9-5-4-8-15-2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeySLVNBRKXFWFUKT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.76
Rot. Bonds7

About 2-ethyl-5-(4-methoxybutoxy)phenol

2-ethyl-5-(4-methoxybutoxy)phenol (PubChem CID 135193551) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-5-(4-methoxybutoxy)phenol.

Molecular Properties

Compound Name2-ethyl-5-(4-methoxybutoxy)phenol
PubChem CID135193551
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-ethyl-5-(4-methoxybutoxy)phenol
SMILESCCc1ccc(OCCCCOC)cc1O
InChIInChI=1S/C13H20O3/c1-3-11-6-7-12(10-13(11)14)16-9-5-4-8-15-2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeySLVNBRKXFWFUKT-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
3-[2-hydroxy-4-(2-methoxyethoxy)phenyl]propanoic acid
CID 67735917
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
4-hexoxybenzene-1,2-diol
CID 23459322
2-benzyl-5-octoxyphenol
CID 143162484
4-ethylbenzene-1,3-diol
CID 17927
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
CID 82956879
ethyl 3-[4-(4-bromobutoxy)-2-hydroxyphenyl]propanoate
CID 69248089
5-(2-hydroxyethoxy)-2-[[2-hydroxy-4-(2-hydroxyethoxy)phenyl]methyl]phenol
CID 139687434
5-butoxy-2-methylphenol
CID 59445644

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methoxybutoxy)phenol?
The IUPAC name of 2-ethyl-5-(4-methoxybutoxy)phenol (CID 135193551) is 2-ethyl-5-(4-methoxybutoxy)phenol.
What is the SMILES notation for 2-ethyl-5-(4-methoxybutoxy)phenol?
The canonical SMILES for 2-ethyl-5-(4-methoxybutoxy)phenol is CCc1ccc(OCCCCOC)cc1O.
What is the InChIKey of 2-ethyl-5-(4-methoxybutoxy)phenol?
The InChIKey is SLVNBRKXFWFUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-11-6-7-12(10-13(11)14)16-9-5-4-8-15-2/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methoxybutoxy)phenol?
2-ethyl-5-(4-methoxybutoxy)phenol has a molecular weight of 224.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methoxybutoxy)phenol is sourced from PubChem (CID 135193551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).