1-pentoxypropylbenzene

C14H22O — CID 57033372

IUPAC1-pentoxypropylbenzene
SMILESCCCCCOC(CC)c1ccccc1
InChIInChI=1S/C14H22O/c1-3-5-9-12-15-14(4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKeyORRZUTKLFKIAAD-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.34
Rot. Bonds7

About 1-pentoxypropylbenzene

1-pentoxypropylbenzene (PubChem CID 57033372) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-pentoxypropylbenzene.

Molecular Properties

Compound Name1-pentoxypropylbenzene
PubChem CID57033372
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-pentoxypropylbenzene
SMILESCCCCCOC(CC)c1ccccc1
InChIInChI=1S/C14H22O/c1-3-5-9-12-15-14(4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKeyORRZUTKLFKIAAD-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.34
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

1-pentoxybutylbenzene
CID 173061669
1-dodecoxyhexylbenzene
CID 174774790
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
1-(6-bromohexoxy)propylbenzene
CID 19798028
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
3-pentoxy-3-phenylpropanenitrile
CID 67356986
didecoxymethylbenzene
CID 150039155
3-hexoxy-3-phenylpropanenitrile
CID 115002769
3-heptoxy-3-phenylpropanenitrile
CID 115002608
1-pentoxyethylbenzene;hydrate
CID 174634303
[chloro(pentoxy)methyl]benzene
CID 141305175
octadecoxy(phenyl)methanol
CID 141167921

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypropylbenzene?
The IUPAC name of 1-pentoxypropylbenzene (CID 57033372) is 1-pentoxypropylbenzene.
What is the SMILES notation for 1-pentoxypropylbenzene?
The canonical SMILES for 1-pentoxypropylbenzene is CCCCCOC(CC)c1ccccc1.
What is the InChIKey of 1-pentoxypropylbenzene?
The InChIKey is ORRZUTKLFKIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-9-12-15-14(4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3.
What are the key properties of 1-pentoxypropylbenzene?
1-pentoxypropylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypropylbenzene is sourced from PubChem (CID 57033372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).