1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol

C13H21O5P — CID 59810700

IUPAC1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol
SMILESCCOP(=O)(COc1ccc(C(C)O)cc1)OCC
InChIInChI=1S/C13H21O5P/c1-4-17-19(15,18-5-2)10-16-13-8-6-12(7-9-13)11(3)14/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyWLLIEBZBXZDZFN-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.34
Rot. Bonds8

About 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol

1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol (PubChem CID 59810700) has the molecular formula C13H21O5P and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol
PubChem CID59810700
Molecular FormulaC13H21O5P
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol
SMILESCCOP(=O)(COc1ccc(C(C)O)cc1)OCC
InChIInChI=1S/C13H21O5P/c1-4-17-19(15,18-5-2)10-16-13-8-6-12(7-9-13)11(3)14/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyWLLIEBZBXZDZFN-UHFFFAOYSA-N
XLogP3.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(diethoxyphosphorylmethoxy)phenyl]methanol
CID 23257899
N-[1-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]-N-[hydroxy(methyl)boranyl]oxy-methylboronamidic acid
CID 59809918
ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid
CID 142968601
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
CID 104928926
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
CID 63364098
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
[4-(1-hydroxyethyl)phenyl] dihydrogen phosphate
CID 141313491
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol (CID 59810700) is 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol is CCOP(=O)(COc1ccc(C(C)O)cc1)OCC.
What is the InChIKey of 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol?
The InChIKey is WLLIEBZBXZDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O5P/c1-4-17-19(15,18-5-2)10-16-13-8-6-12(7-9-13)11(3)14/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol?
1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol has a molecular weight of 288.28 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol is sourced from PubChem (CID 59810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).