1-nonoxypropan-2-yloxybenzene

C18H30O2 — CID 154296421

IUPAC1-nonoxypropan-2-yloxybenzene
SMILESCCCCCCCCCOCC(C)Oc1ccccc1
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-12-15-19-16-17(2)20-18-13-10-9-11-14-18/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3
InChIKeyKPMYMTXBHDDULV-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.22
Rot. Bonds12

About 1-nonoxypropan-2-yloxybenzene

1-nonoxypropan-2-yloxybenzene (PubChem CID 154296421) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-nonoxypropan-2-yloxybenzene.

Molecular Properties

Compound Name1-nonoxypropan-2-yloxybenzene
PubChem CID154296421
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-nonoxypropan-2-yloxybenzene
SMILESCCCCCCCCCOCC(C)Oc1ccccc1
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-12-15-19-16-17(2)20-18-13-10-9-11-14-18/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3
InChIKeyKPMYMTXBHDDULV-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-butoxypropan-2-yl]oxy-4-(4-octoxyphenyl)benzene
CID 14418859
decan-2-yloxybenzene
CID 12838331
1-octoxypropan-2-ylbenzene
CID 77473849
4-[(2R)-1-butoxypropan-2-yl]oxyphenol
CID 14418920
2-phenoxypropyl octanoate
CID 73080448
hexatriacontoxymethoxybenzene
CID 21131247
nonoxymethoxybenzene
CID 151123684
[(3-octadecoxy-2-phenoxypropoxy)-diphenylmethyl]benzene
CID 154476961
pentoxybenzene;undecane
CID 174778179
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
1-(2-methylpropoxy)tridecane
CID 91526471

Frequently Asked Questions

What is the IUPAC name of 1-nonoxypropan-2-yloxybenzene?
The IUPAC name of 1-nonoxypropan-2-yloxybenzene (CID 154296421) is 1-nonoxypropan-2-yloxybenzene.
What is the SMILES notation for 1-nonoxypropan-2-yloxybenzene?
The canonical SMILES for 1-nonoxypropan-2-yloxybenzene is CCCCCCCCCOCC(C)Oc1ccccc1.
What is the InChIKey of 1-nonoxypropan-2-yloxybenzene?
The InChIKey is KPMYMTXBHDDULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-12-15-19-16-17(2)20-18-13-10-9-11-14-18/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3.
What are the key properties of 1-nonoxypropan-2-yloxybenzene?
1-nonoxypropan-2-yloxybenzene has a molecular weight of 278.44 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonoxypropan-2-yloxybenzene is sourced from PubChem (CID 154296421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).