1-ethyl-2-octyl-3-phenoxybenzene

C22H30O — CID 141216641

IUPAC1-ethyl-2-octyl-3-phenoxybenzene
SMILESCCCCCCCCc1c(CC)cccc1Oc1ccccc1
InChIInChI=1S/C22H30O/c1-3-5-6-7-8-12-17-21-19(4-2)14-13-18-22(21)23-20-15-10-9-11-16-20/h9-11,13-16,18H,3-8,12,17H2,1-2H3
InChIKeyYMPKBLWKIQOJLI-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.94
Rot. Bonds10

About 1-ethyl-2-octyl-3-phenoxybenzene

1-ethyl-2-octyl-3-phenoxybenzene (PubChem CID 141216641) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-ethyl-2-octyl-3-phenoxybenzene.

Molecular Properties

Compound Name1-ethyl-2-octyl-3-phenoxybenzene
PubChem CID141216641
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-ethyl-2-octyl-3-phenoxybenzene
SMILESCCCCCCCCc1c(CC)cccc1Oc1ccccc1
InChIInChI=1S/C22H30O/c1-3-5-6-7-8-12-17-21-19(4-2)14-13-18-22(21)23-20-15-10-9-11-16-20/h9-11,13-16,18H,3-8,12,17H2,1-2H3
InChIKeyYMPKBLWKIQOJLI-UHFFFAOYSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.94
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

2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
1-pentadecyl-2-phenoxybenzene
CID 101290758
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
disodium;1-dodecyl-2-phenoxybenzene;sulfonato sulfate
CID 159843124
1,2-diethyl-3-hexoxy-4-phenoxybenzene
CID 175596761
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
3-ethyl-2-octylphenol
CID 66867297
(3-butyl-2-nonylphenyl) hydrogen carbonate
CID 67180940
(2-butyl-3-heptylphenyl) hydrogen carbonate
CID 67182591

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-octyl-3-phenoxybenzene?
The IUPAC name of 1-ethyl-2-octyl-3-phenoxybenzene (CID 141216641) is 1-ethyl-2-octyl-3-phenoxybenzene.
What is the SMILES notation for 1-ethyl-2-octyl-3-phenoxybenzene?
The canonical SMILES for 1-ethyl-2-octyl-3-phenoxybenzene is CCCCCCCCc1c(CC)cccc1Oc1ccccc1.
What is the InChIKey of 1-ethyl-2-octyl-3-phenoxybenzene?
The InChIKey is YMPKBLWKIQOJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-3-5-6-7-8-12-17-21-19(4-2)14-13-18-22(21)23-20-15-10-9-11-16-20/h9-11,13-16,18H,3-8,12,17H2,1-2H3.
What are the key properties of 1-ethyl-2-octyl-3-phenoxybenzene?
1-ethyl-2-octyl-3-phenoxybenzene has a molecular weight of 310.48 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-octyl-3-phenoxybenzene is sourced from PubChem (CID 141216641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).