1-nonoxy-4-propylbenzene

C18H30O — CID 118632119

IUPAC1-nonoxy-4-propylbenzene
SMILESCCCCCCCCCOc1ccc(CCC)cc1
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-10-16-19-18-14-12-17(11-4-2)13-15-18/h12-15H,3-11,16H2,1-2H3
InChIKeyVQEJQCYKCFWVIU-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.77
Rot. Bonds11

About 1-nonoxy-4-propylbenzene

1-nonoxy-4-propylbenzene (PubChem CID 118632119) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-nonoxy-4-propylbenzene.

Molecular Properties

Compound Name1-nonoxy-4-propylbenzene
PubChem CID118632119
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-nonoxy-4-propylbenzene
SMILESCCCCCCCCCOc1ccc(CCC)cc1
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-10-16-19-18-14-12-17(11-4-2)13-15-18/h12-15H,3-11,16H2,1-2H3
InChIKeyVQEJQCYKCFWVIU-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.77
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-hexoxy-4-pentylbenzene
CID 54277450
pentakis(4-[2-(4-hexoxyphenyl)ethyl]benzenethiol);pentahydrofluoride
CID 173376407
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1,4-dipentoxybenzene
CID 18314717
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873

Frequently Asked Questions

What is the IUPAC name of 1-nonoxy-4-propylbenzene?
The IUPAC name of 1-nonoxy-4-propylbenzene (CID 118632119) is 1-nonoxy-4-propylbenzene.
What is the SMILES notation for 1-nonoxy-4-propylbenzene?
The canonical SMILES for 1-nonoxy-4-propylbenzene is CCCCCCCCCOc1ccc(CCC)cc1.
What is the InChIKey of 1-nonoxy-4-propylbenzene?
The InChIKey is VQEJQCYKCFWVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-6-7-8-9-10-16-19-18-14-12-17(11-4-2)13-15-18/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 1-nonoxy-4-propylbenzene?
1-nonoxy-4-propylbenzene has a molecular weight of 262.44 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonoxy-4-propylbenzene is sourced from PubChem (CID 118632119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).