pentoxybenzene

C11H16O — CID 16298

IUPACpentoxybenzene
SMILESCCCCCOc1ccccc1
InChIInChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChIKeyHPUOAJPGWQQRNT-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.26
Rot. Bonds5

About pentoxybenzene

pentoxybenzene (PubChem CID 16298) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is pentoxybenzene.

Molecular Properties

Compound Namepentoxybenzene
PubChem CID16298
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Namepentoxybenzene
SMILESCCCCCOc1ccccc1
InChIInChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChIKeyHPUOAJPGWQQRNT-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenoxyethanol
CID 31236
Phenyl glycidyl ether
CID 31217
Diphenyl Ether
CID 7583
Anisole
CID 7519
Phenyl acetate
CID 31229
Veratrole
CID 7043
1-Phenoxy-2-propanol
CID 92839
1,4-Dimethoxybenzene
CID 9016
4-Ethoxyphenol
CID 12150
Phenetole
CID 7674
Phenoxyethyl isobutyrate
CID 61005
Phenoxyethyl propionate
CID 31954

Frequently Asked Questions

What is the IUPAC name of pentoxybenzene?
The IUPAC name of pentoxybenzene (CID 16298) is pentoxybenzene.
What is the SMILES notation for pentoxybenzene?
The canonical SMILES for pentoxybenzene is CCCCCOc1ccccc1.
What is the InChIKey of pentoxybenzene?
The InChIKey is HPUOAJPGWQQRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3.
What are the key properties of pentoxybenzene?
pentoxybenzene has a molecular weight of 164.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxybenzene is sourced from PubChem (CID 16298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).