2-decyl-1-phenoxy-3-propylbenzene

C25H36O — CID 141351783

IUPAC2-decyl-1-phenoxy-3-propylbenzene
SMILESCCCCCCCCCCc1c(CCC)cccc1Oc1ccccc1
InChIInChI=1S/C25H36O/c1-3-5-6-7-8-9-10-14-20-24-22(16-4-2)17-15-21-25(24)26-23-18-12-11-13-19-23/h11-13,15,17-19,21H,3-10,14,16,20H2,1-2H3
InChIKeyAKOPPTJVOSHGPQ-UHFFFAOYSA-N
MW352.56 g/mol
LogP8.11
Rot. Bonds13

About 2-decyl-1-phenoxy-3-propylbenzene

2-decyl-1-phenoxy-3-propylbenzene (PubChem CID 141351783) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 2-decyl-1-phenoxy-3-propylbenzene.

Molecular Properties

Compound Name2-decyl-1-phenoxy-3-propylbenzene
PubChem CID141351783
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name2-decyl-1-phenoxy-3-propylbenzene
SMILESCCCCCCCCCCc1c(CCC)cccc1Oc1ccccc1
InChIInChI=1S/C25H36O/c1-3-5-6-7-8-9-10-14-20-24-22(16-4-2)17-15-21-25(24)26-23-18-12-11-13-19-23/h11-13,15,17-19,21H,3-10,14,16,20H2,1-2H3
InChIKeyAKOPPTJVOSHGPQ-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 58.11
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

sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
1-pentadecyl-2-phenoxybenzene
CID 101290758
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
1,2-diphenoxy-3-propylbenzene
CID 18381159
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1-phenylperoxy-2,3-dipropylbenzene
CID 56612441
1-(2-decoxyethyl)-3-[3-(2-decoxyethyl)-2-pentylphenoxy]-2-pentylbenzene
CID 139978430
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056
1,2,3-tri(icosyl)benzene
CID 90987509

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-phenoxy-3-propylbenzene?
The IUPAC name of 2-decyl-1-phenoxy-3-propylbenzene (CID 141351783) is 2-decyl-1-phenoxy-3-propylbenzene.
What is the SMILES notation for 2-decyl-1-phenoxy-3-propylbenzene?
The canonical SMILES for 2-decyl-1-phenoxy-3-propylbenzene is CCCCCCCCCCc1c(CCC)cccc1Oc1ccccc1.
What is the InChIKey of 2-decyl-1-phenoxy-3-propylbenzene?
The InChIKey is AKOPPTJVOSHGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O/c1-3-5-6-7-8-9-10-14-20-24-22(16-4-2)17-15-21-25(24)26-23-18-12-11-13-19-23/h11-13,15,17-19,21H,3-10,14,16,20H2,1-2H3.
What are the key properties of 2-decyl-1-phenoxy-3-propylbenzene?
2-decyl-1-phenoxy-3-propylbenzene has a molecular weight of 352.56 g/mol, XLogP of 8.11, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-phenoxy-3-propylbenzene is sourced from PubChem (CID 141351783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).