1-methoxy-2-(4-phenoxybutoxy)benzene

C17H20O3 — CID 2252132

IUPAC1-methoxy-2-(4-phenoxybutoxy)benzene
SMILESCOc1ccccc1OCCCCOc1ccccc1
InChIInChI=1S/C17H20O3/c1-18-16-11-5-6-12-17(16)20-14-8-7-13-19-15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3
InChIKeyYTGBNQYDDZJXKT-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.93
Rot. Bonds8

About 1-methoxy-2-(4-phenoxybutoxy)benzene

1-methoxy-2-(4-phenoxybutoxy)benzene (PubChem CID 2252132) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-methoxy-2-(4-phenoxybutoxy)benzene.

Molecular Properties

Compound Name1-methoxy-2-(4-phenoxybutoxy)benzene
PubChem CID2252132
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-methoxy-2-(4-phenoxybutoxy)benzene
SMILESCOc1ccccc1OCCCCOc1ccccc1
InChIInChI=1S/C17H20O3/c1-18-16-11-5-6-12-17(16)20-14-8-7-13-19-15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3
InChIKeyYTGBNQYDDZJXKT-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
CID 82097295
3-[2-(2-methoxyphenoxy)ethoxy]phenol
CID 39360613

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(4-phenoxybutoxy)benzene?
The IUPAC name of 1-methoxy-2-(4-phenoxybutoxy)benzene (CID 2252132) is 1-methoxy-2-(4-phenoxybutoxy)benzene.
What is the SMILES notation for 1-methoxy-2-(4-phenoxybutoxy)benzene?
The canonical SMILES for 1-methoxy-2-(4-phenoxybutoxy)benzene is COc1ccccc1OCCCCOc1ccccc1.
What is the InChIKey of 1-methoxy-2-(4-phenoxybutoxy)benzene?
The InChIKey is YTGBNQYDDZJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-18-16-11-5-6-12-17(16)20-14-8-7-13-19-15-9-3-2-4-10-15/h2-6,9-12H,7-8,13-14H2,1H3.
What are the key properties of 1-methoxy-2-(4-phenoxybutoxy)benzene?
1-methoxy-2-(4-phenoxybutoxy)benzene has a molecular weight of 272.34 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(4-phenoxybutoxy)benzene is sourced from PubChem (CID 2252132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).