4-bis(phenylmethoxy)phosphorylbutan-1-ol

C18H23O4P — CID 170700837

IUPAC4-bis(phenylmethoxy)phosphorylbutan-1-ol
SMILESO=P(CCCCO)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H23O4P/c19-13-7-8-14-23(20,21-15-17-9-3-1-4-10-17)22-16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKeyMJSMTJXZUHQGIJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.39
Rot. Bonds10

About 4-bis(phenylmethoxy)phosphorylbutan-1-ol

4-bis(phenylmethoxy)phosphorylbutan-1-ol (PubChem CID 170700837) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-bis(phenylmethoxy)phosphorylbutan-1-ol.

Molecular Properties

Compound Name4-bis(phenylmethoxy)phosphorylbutan-1-ol
PubChem CID170700837
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name4-bis(phenylmethoxy)phosphorylbutan-1-ol
SMILESO=P(CCCCO)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H23O4P/c19-13-7-8-14-23(20,21-15-17-9-3-1-4-10-17)22-16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKeyMJSMTJXZUHQGIJ-UHFFFAOYSA-N
XLogP4.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
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

3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
dibenzyl 3-hydroxypropyl phosphate
CID 86064803
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
dibenzyl hydrogen phosphate;silver
CID 85301331
4-bis(phenylmethoxy)phosphoryloxybutyl acetate;dibenzyl 4-hydroxybutyl phosphate
CID 158828112
[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene
CID 134897580
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
CID 69095386
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865

Frequently Asked Questions

What is the IUPAC name of 4-bis(phenylmethoxy)phosphorylbutan-1-ol?
The IUPAC name of 4-bis(phenylmethoxy)phosphorylbutan-1-ol (CID 170700837) is 4-bis(phenylmethoxy)phosphorylbutan-1-ol.
What is the SMILES notation for 4-bis(phenylmethoxy)phosphorylbutan-1-ol?
The canonical SMILES for 4-bis(phenylmethoxy)phosphorylbutan-1-ol is O=P(CCCCO)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 4-bis(phenylmethoxy)phosphorylbutan-1-ol?
The InChIKey is MJSMTJXZUHQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c19-13-7-8-14-23(20,21-15-17-9-3-1-4-10-17)22-16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2.
What are the key properties of 4-bis(phenylmethoxy)phosphorylbutan-1-ol?
4-bis(phenylmethoxy)phosphorylbutan-1-ol has a molecular weight of 334.35 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(phenylmethoxy)phosphorylbutan-1-ol is sourced from PubChem (CID 170700837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).