1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene

C20H26O5 — CID 141201011

IUPAC1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
SMILESCOc1cc(OCCCCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H26O5/c1-21-18-14-17(15-19(22-2)20(18)23-3)25-13-9-5-8-12-24-16-10-6-4-7-11-16/h4,6-7,10-11,14-15H,5,8-9,12-13H2,1-3H3
InChIKeyWUJKRHJNSBKQMR-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.34
Rot. Bonds11

About 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene

1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene (PubChem CID 141201011) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
PubChem CID141201011
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
SMILESCOc1cc(OCCCCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H26O5/c1-21-18-14-17(15-19(22-2)20(18)23-3)25-13-9-5-8-12-24-16-10-6-4-7-11-16/h4,6-7,10-11,14-15H,5,8-9,12-13H2,1-3H3
InChIKeyWUJKRHJNSBKQMR-UHFFFAOYSA-N
XLogP4.34
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 14053540
1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
CID 141115136
pentoxybenzene;undecane
CID 174778179
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
6-[4-[3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]hexyl-triphenylphosphanium
CID 171151855
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene?
The IUPAC name of 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene (CID 141201011) is 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene is COc1cc(OCCCCCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene?
The InChIKey is WUJKRHJNSBKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-21-18-14-17(15-19(22-2)20(18)23-3)25-13-9-5-8-12-24-16-10-6-4-7-11-16/h4,6-7,10-11,14-15H,5,8-9,12-13H2,1-3H3.
What are the key properties of 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene?
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene has a molecular weight of 346.42 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene is sourced from PubChem (CID 141201011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).