[4-(diethoxyphosphorylmethoxy)phenyl]methanol

C12H19O5P — CID 23257899

IUPAC[4-(diethoxyphosphorylmethoxy)phenyl]methanol
SMILESCCOP(=O)(COc1ccc(CO)cc1)OCC
InChIInChI=1S/C12H19O5P/c1-3-16-18(14,17-4-2)10-15-12-7-5-11(9-13)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyVPVPSSHZAIGVDS-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.78
Rot. Bonds8

About [4-(diethoxyphosphorylmethoxy)phenyl]methanol

[4-(diethoxyphosphorylmethoxy)phenyl]methanol (PubChem CID 23257899) has the molecular formula C12H19O5P and a molecular weight of 274.25 g/mol. Its IUPAC name is [4-(diethoxyphosphorylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(diethoxyphosphorylmethoxy)phenyl]methanol
PubChem CID23257899
Molecular FormulaC12H19O5P
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name[4-(diethoxyphosphorylmethoxy)phenyl]methanol
SMILESCCOP(=O)(COc1ccc(CO)cc1)OCC
InChIInChI=1S/C12H19O5P/c1-3-16-18(14,17-4-2)10-15-12-7-5-11(9-13)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyVPVPSSHZAIGVDS-UHFFFAOYSA-N
XLogP2.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.78
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

tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate
CID 86752191
4-[(2S)-3-[[(2R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]propan-2-yl]amino]-2-hydroxypropoxy]-2-(hydroxymethyl)phenol
CID 57054399
5-(diethoxyphosphorylmethoxy)-2,3-dihydro-1H-isoindole
CID 59132381
1-bromo-3-(diethoxyphosphorylmethoxy)benzene
CID 156817200
N-[1-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]-N-[hydroxy(methyl)boranyl]oxy-methylboronamidic acid
CID 59809918
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
N-(3-amino-4-methylphenyl)-4-(diethoxyphosphorylmethoxy)benzamide
CID 143223139
6-(diethoxyphosphorylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 58944445
2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
CID 86678288
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394

Frequently Asked Questions

What is the IUPAC name of [4-(diethoxyphosphorylmethoxy)phenyl]methanol?
The IUPAC name of [4-(diethoxyphosphorylmethoxy)phenyl]methanol (CID 23257899) is [4-(diethoxyphosphorylmethoxy)phenyl]methanol.
What is the SMILES notation for [4-(diethoxyphosphorylmethoxy)phenyl]methanol?
The canonical SMILES for [4-(diethoxyphosphorylmethoxy)phenyl]methanol is CCOP(=O)(COc1ccc(CO)cc1)OCC.
What is the InChIKey of [4-(diethoxyphosphorylmethoxy)phenyl]methanol?
The InChIKey is VPVPSSHZAIGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O5P/c1-3-16-18(14,17-4-2)10-15-12-7-5-11(9-13)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of [4-(diethoxyphosphorylmethoxy)phenyl]methanol?
[4-(diethoxyphosphorylmethoxy)phenyl]methanol has a molecular weight of 274.25 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethoxyphosphorylmethoxy)phenyl]methanol is sourced from PubChem (CID 23257899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).