2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane

C12H17O4P-2 — CID 58454934

IUPAC2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane
SMILESCOCCCc1ccc(CCP(=O)([O-])[O-])cc1
InChIInChI=1S/C12H19O4P/c1-16-9-2-3-11-4-6-12(7-5-11)8-10-17(13,14)15/h4-7H,2-3,8-10H2,1H3,(H2,13,14,15)/p-2
InChIKeyTYFDKPYZQFJARK-UHFFFAOYSA-L
MW256.24 g/mol
LogP0.72
Rot. Bonds7

About 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane

2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane (PubChem CID 58454934) has the molecular formula C12H17O4P-2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane
PubChem CID58454934
Molecular FormulaC12H17O4P-2
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane
SMILESCOCCCc1ccc(CCP(=O)([O-])[O-])cc1
InChIInChI=1S/C12H19O4P/c1-16-9-2-3-11-4-6-12(7-5-11)8-10-17(13,14)15/h4-7H,2-3,8-10H2,1H3,(H2,13,14,15)/p-2
InChIKeyTYFDKPYZQFJARK-UHFFFAOYSA-L
XLogP0.72
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
3-[4-(3-methoxypropyl)phenyl]propanoic acid
CID 58454931
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
3-[4-(3-methoxypropyl)phenyl]-2-methylpropanoic acid
CID 115112833
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
7-methoxyheptylbenzene
CID 54276867
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
CID 117113157
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
imino-[4-(4-methoxybutyl)phenyl]-oxidoazanium
CID 170189286
18-(4-iodophenyl)octadecoxy-methylphosphinate
CID 58185125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane (CID 58454934) is 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane is COCCCc1ccc(CCP(=O)([O-])[O-])cc1.
What is the InChIKey of 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane?
The InChIKey is TYFDKPYZQFJARK-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H19O4P/c1-16-9-2-3-11-4-6-12(7-5-11)8-10-17(13,14)15/h4-7H,2-3,8-10H2,1H3,(H2,13,14,15)/p-2.
What are the key properties of 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane?
2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane has a molecular weight of 256.24 g/mol, XLogP of 0.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 58454934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).