1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene

C18H27O4P — CID 160510858

IUPAC1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene
SMILESC=CCCCOP(=O)(CCCC=C)Oc1ccc(OCC)cc1
InChIInChI=1S/C18H27O4P/c1-4-7-9-15-21-23(19,16-10-8-5-2)22-18-13-11-17(12-14-18)20-6-3/h4-5,11-14H,1-2,6-10,15-16H2,3H3
InChIKeyQTAHPVBJBMFVOR-UHFFFAOYSA-N
MW338.38 g/mol
LogP5.61
Rot. Bonds13

About 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene

1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene (PubChem CID 160510858) has the molecular formula C18H27O4P and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene
PubChem CID160510858
Molecular FormulaC18H27O4P
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene
SMILESC=CCCCOP(=O)(CCCC=C)Oc1ccc(OCC)cc1
InChIInChI=1S/C18H27O4P/c1-4-7-9-15-21-23(19,16-10-8-5-2)22-18-13-11-17(12-14-18)20-6-3/h4-5,11-14H,1-2,6-10,15-16H2,3H3
InChIKeyQTAHPVBJBMFVOR-UHFFFAOYSA-N
XLogP5.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-dibutoxyphosphorylundec-1-ene
CID 23108314
1-bromo-4-[butoxy(butyl)phosphoryl]oxybenzene
CID 6424738
1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene
CID 91743724
1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206
(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480
1-[butyl(propoxy)phosphoryl]oxy-4-nitrobenzene
CID 91735345
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
1-ethoxy-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139767171
4-[butyl(propoxy)phosphoryl]oxy-1,2-dimethylbenzene
CID 91711632
N-but-3-enyl-2-(4-ethoxyphenoxy)acetamide
CID 113465944

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene?
The IUPAC name of 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene (CID 160510858) is 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene.
What is the SMILES notation for 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene?
The canonical SMILES for 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene is C=CCCCOP(=O)(CCCC=C)Oc1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene?
The InChIKey is QTAHPVBJBMFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27O4P/c1-4-7-9-15-21-23(19,16-10-8-5-2)22-18-13-11-17(12-14-18)20-6-3/h4-5,11-14H,1-2,6-10,15-16H2,3H3.
What are the key properties of 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene?
1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene has a molecular weight of 338.38 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[pent-4-enoxy(pent-4-enyl)phosphoryl]oxybenzene is sourced from PubChem (CID 160510858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).