[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol

C16H27O4P — CID 10757629

IUPAC[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol
SMILESO=P(CO)(CO)CCCCCCCCOc1ccccc1
InChIInChI=1S/C16H27O4P/c17-14-21(19,15-18)13-9-4-2-1-3-8-12-20-16-10-6-5-7-11-16/h5-7,10-11,17-18H,1-4,8-9,12-15H2
InChIKeyMSOVFMXQAKYSGO-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.67
Rot. Bonds12

About [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol

[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol (PubChem CID 10757629) has the molecular formula C16H27O4P and a molecular weight of 314.36 g/mol. Its IUPAC name is [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol.

Molecular Properties

Compound Name[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol
PubChem CID10757629
Molecular FormulaC16H27O4P
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Name[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol
SMILESO=P(CO)(CO)CCCCCCCCOc1ccccc1
InChIInChI=1S/C16H27O4P/c17-14-21(19,15-18)13-9-4-2-1-3-8-12-20-16-10-6-5-7-11-16/h5-7,10-11,17-18H,1-4,8-9,12-15H2
InChIKeyMSOVFMXQAKYSGO-UHFFFAOYSA-N
XLogP3.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
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

12-phenoxydodecylphosphonic acid
CID 102430070
7-phenoxyheptan-1-ol
CID 15856264
12-(4-benzoylphenoxy)dodecylphosphonic acid
CID 86002204
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
9-phenoxynonanoic acid
CID 15887638
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
10-phenoxydecane-1-sulfonic acid
CID 58984193
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
1-[amino(phenoxy)phosphoryl]oxy-4-hexoxybenzene
CID 67856737
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol?
The IUPAC name of [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol (CID 10757629) is [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol.
What is the SMILES notation for [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol?
The canonical SMILES for [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol is O=P(CO)(CO)CCCCCCCCOc1ccccc1.
What is the InChIKey of [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol?
The InChIKey is MSOVFMXQAKYSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O4P/c17-14-21(19,15-18)13-9-4-2-1-3-8-12-20-16-10-6-5-7-11-16/h5-7,10-11,17-18H,1-4,8-9,12-15H2.
What are the key properties of [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol?
[hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol has a molecular weight of 314.36 g/mol, XLogP of 3.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl(8-phenoxyoctyl)phosphoryl]methanol is sourced from PubChem (CID 10757629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).