1-methoxyphosphanylbutane-1,4-diol

C5H13O3P — CID 87673405

IUPAC1-methoxyphosphanylbutane-1,4-diol
SMILESCOPC(O)CCCO
InChIInChI=1S/C5H13O3P/c1-8-9-5(7)3-2-4-6/h5-7,9H,2-4H2,1H3
InChIKeyBLCZAPAXXZAPEK-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.32
Rot. Bonds5

About 1-methoxyphosphanylbutane-1,4-diol

1-methoxyphosphanylbutane-1,4-diol (PubChem CID 87673405) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is 1-methoxyphosphanylbutane-1,4-diol.

Molecular Properties

Compound Name1-methoxyphosphanylbutane-1,4-diol
PubChem CID87673405
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Name1-methoxyphosphanylbutane-1,4-diol
SMILESCOPC(O)CCCO
InChIInChI=1S/C5H13O3P/c1-8-9-5(7)3-2-4-6/h5-7,9H,2-4H2,1H3
InChIKeyBLCZAPAXXZAPEK-UHFFFAOYSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxyphosphanylbutane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxyphosphanylpropane-1,3-diol
CID 87671511
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766
(4S)-4-methoxy-5-methylhexan-1-ol
CID 131848315
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
methoxymethane;octane-1,8-diol
CID 175193596
(4S)-4-methoxyundecan-1-ol
CID 53329455
(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
7-methoxyheptane-1,5-diol
CID 57129669
methyl 2,3,18-trihydroxyoctadecanoate
CID 174616896
4-(diethylamino)pentan-1-ol
CID 87480053
12,12-dimethoxydodecan-1-ol
CID 71412944
1-(2-hydroxyethoxy)butane-1,4-diol
CID 57013926

Frequently Asked Questions

What is the IUPAC name of 1-methoxyphosphanylbutane-1,4-diol?
The IUPAC name of 1-methoxyphosphanylbutane-1,4-diol (CID 87673405) is 1-methoxyphosphanylbutane-1,4-diol.
What is the SMILES notation for 1-methoxyphosphanylbutane-1,4-diol?
The canonical SMILES for 1-methoxyphosphanylbutane-1,4-diol is COPC(O)CCCO.
What is the InChIKey of 1-methoxyphosphanylbutane-1,4-diol?
The InChIKey is BLCZAPAXXZAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-8-9-5(7)3-2-4-6/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-methoxyphosphanylbutane-1,4-diol?
1-methoxyphosphanylbutane-1,4-diol has a molecular weight of 152.13 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyphosphanylbutane-1,4-diol is sourced from PubChem (CID 87673405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).