2-phenyl-4-phosphorosooxybutan-1-ol

C10H13O3P — CID 57195519

IUPAC2-phenyl-4-phosphorosooxybutan-1-ol
SMILESO=POCCC(CO)c1ccccc1
InChIInChI=1S/C10H13O3P/c11-8-10(6-7-13-14-12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyUFHMNACIBBJDQH-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.38
Rot. Bonds6

About 2-phenyl-4-phosphorosooxybutan-1-ol

2-phenyl-4-phosphorosooxybutan-1-ol (PubChem CID 57195519) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is 2-phenyl-4-phosphorosooxybutan-1-ol.

Molecular Properties

Compound Name2-phenyl-4-phosphorosooxybutan-1-ol
PubChem CID57195519
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name2-phenyl-4-phosphorosooxybutan-1-ol
SMILESO=POCCC(CO)c1ccccc1
InChIInChI=1S/C10H13O3P/c11-8-10(6-7-13-14-12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyUFHMNACIBBJDQH-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
sodium;hydride;4-hydroxy-3-phenylbutane-1-sulfonic acid
CID 173165688
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366
(3-phenyl-5-sulfanylpentyl) dihydrogen phosphate
CID 173475510
2-phenyl-5-(2-phenylethyl)hexane-1,6-diol
CID 70367489
azane;2-phosphorosooxyethylbenzene
CID 69238979
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-phosphorosooxybutan-1-ol?
The IUPAC name of 2-phenyl-4-phosphorosooxybutan-1-ol (CID 57195519) is 2-phenyl-4-phosphorosooxybutan-1-ol.
What is the SMILES notation for 2-phenyl-4-phosphorosooxybutan-1-ol?
The canonical SMILES for 2-phenyl-4-phosphorosooxybutan-1-ol is O=POCCC(CO)c1ccccc1.
What is the InChIKey of 2-phenyl-4-phosphorosooxybutan-1-ol?
The InChIKey is UFHMNACIBBJDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c11-8-10(6-7-13-14-12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 2-phenyl-4-phosphorosooxybutan-1-ol?
2-phenyl-4-phosphorosooxybutan-1-ol has a molecular weight of 212.19 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-phosphorosooxybutan-1-ol is sourced from PubChem (CID 57195519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).