2-[pentoxy(phenyl)methyl]oxirane

C14H20O2 — CID 56615808

IUPAC2-[pentoxy(phenyl)methyl]oxirane
SMILESCCCCCOC(c1ccccc1)C1CO1
InChIInChI=1S/C14H20O2/c1-2-3-7-10-15-14(13-11-16-13)12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3
InChIKeyKPKUHVSDVJTQBZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.33
Rot. Bonds7

About 2-[pentoxy(phenyl)methyl]oxirane

2-[pentoxy(phenyl)methyl]oxirane (PubChem CID 56615808) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[pentoxy(phenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[pentoxy(phenyl)methyl]oxirane
PubChem CID56615808
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[pentoxy(phenyl)methyl]oxirane
SMILESCCCCCOC(c1ccccc1)C1CO1
InChIInChI=1S/C14H20O2/c1-2-3-7-10-15-14(13-11-16-13)12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3
InChIKeyKPKUHVSDVJTQBZ-UHFFFAOYSA-N
XLogP3.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
didecoxymethylbenzene
CID 150039155
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
1-pentoxypropylbenzene
CID 57033372
1-pentoxybutylbenzene
CID 173061669
[chloro(pentoxy)methyl]benzene
CID 141305175
1-pentoxyethylbenzene;hydrate
CID 174634303
1-dodecoxyhexylbenzene
CID 174774790
(4R,5S)-4-[(R)-hexoxy(phenyl)methyl]-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
CID 101488694
1,1,2,2-tetrahexoxyethylbenzene
CID 3939023
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631

Frequently Asked Questions

What is the IUPAC name of 2-[pentoxy(phenyl)methyl]oxirane?
The IUPAC name of 2-[pentoxy(phenyl)methyl]oxirane (CID 56615808) is 2-[pentoxy(phenyl)methyl]oxirane.
What is the SMILES notation for 2-[pentoxy(phenyl)methyl]oxirane?
The canonical SMILES for 2-[pentoxy(phenyl)methyl]oxirane is CCCCCOC(c1ccccc1)C1CO1.
What is the InChIKey of 2-[pentoxy(phenyl)methyl]oxirane?
The InChIKey is KPKUHVSDVJTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-7-10-15-14(13-11-16-13)12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3.
What are the key properties of 2-[pentoxy(phenyl)methyl]oxirane?
2-[pentoxy(phenyl)methyl]oxirane has a molecular weight of 220.31 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentoxy(phenyl)methyl]oxirane is sourced from PubChem (CID 56615808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).