1-butyl-2-nonoxybenzene

C19H32O — CID 118255282

IUPAC1-butyl-2-nonoxybenzene
SMILESCCCCCCCCCOc1ccccc1CCCC
InChIInChI=1S/C19H32O/c1-3-5-7-8-9-10-13-17-20-19-16-12-11-15-18(19)14-6-4-2/h11-12,15-16H,3-10,13-14,17H2,1-2H3
InChIKeyBIWACSGPFBWNHY-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.16
Rot. Bonds12

About 1-butyl-2-nonoxybenzene

1-butyl-2-nonoxybenzene (PubChem CID 118255282) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-butyl-2-nonoxybenzene.

Molecular Properties

Compound Name1-butyl-2-nonoxybenzene
PubChem CID118255282
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-butyl-2-nonoxybenzene
SMILESCCCCCCCCCOc1ccccc1CCCC
InChIInChI=1S/C19H32O/c1-3-5-7-8-9-10-13-17-20-19-16-12-11-15-18(19)14-6-4-2/h11-12,15-16H,3-10,13-14,17H2,1-2H3
InChIKeyBIWACSGPFBWNHY-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.16
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-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-ethyl-2-heptoxybenzene
CID 22723794
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-(2-pentoxyphenyl)ethanol
CID 91657515
1-decyl-2-ethoxybenzene
CID 175243335
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
(2-octoxyphenyl)methanol
CID 43128604
1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
1-decyl-2-(5-methoxyhexoxy)benzene
CID 57268252
1-but-3-ynyl-2-pentoxybenzene
CID 11665685

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-nonoxybenzene?
The IUPAC name of 1-butyl-2-nonoxybenzene (CID 118255282) is 1-butyl-2-nonoxybenzene.
What is the SMILES notation for 1-butyl-2-nonoxybenzene?
The canonical SMILES for 1-butyl-2-nonoxybenzene is CCCCCCCCCOc1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-nonoxybenzene?
The InChIKey is BIWACSGPFBWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-3-5-7-8-9-10-13-17-20-19-16-12-11-15-18(19)14-6-4-2/h11-12,15-16H,3-10,13-14,17H2,1-2H3.
What are the key properties of 1-butyl-2-nonoxybenzene?
1-butyl-2-nonoxybenzene has a molecular weight of 276.46 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-nonoxybenzene is sourced from PubChem (CID 118255282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).