1-(4-phosphorosophenoxy)propan-1-ol

C9H11O3P — CID 141342595

IUPAC1-(4-phosphorosophenoxy)propan-1-ol
SMILESCCC(O)Oc1ccc(P=O)cc1
InChIInChI=1S/C9H11O3P/c1-2-9(10)12-7-3-5-8(13-11)6-4-7/h3-6,9-10H,2H2,1H3
InChIKeyCTCCFKWQJQLZLX-UHFFFAOYSA-N
MW198.16 g/mol
LogP1.71
Rot. Bonds4

About 1-(4-phosphorosophenoxy)propan-1-ol

1-(4-phosphorosophenoxy)propan-1-ol (PubChem CID 141342595) has the molecular formula C9H11O3P and a molecular weight of 198.16 g/mol. Its IUPAC name is 1-(4-phosphorosophenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-phosphorosophenoxy)propan-1-ol
PubChem CID141342595
Molecular FormulaC9H11O3P
Molecular Weight198.16 g/mol
Exact Mass198.04
IUPAC Name1-(4-phosphorosophenoxy)propan-1-ol
SMILESCCC(O)Oc1ccc(P=O)cc1
InChIInChI=1S/C9H11O3P/c1-2-9(10)12-7-3-5-8(13-11)6-4-7/h3-6,9-10H,2H2,1H3
InChIKeyCTCCFKWQJQLZLX-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[4-(1-hydroxypropoxy)phenyl]arsonic acid
CID 154103287
1-[4-(bromomethyl)phenoxy]propan-1-ol
CID 139754886
4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol
CID 70641733
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
1-(4-chlorophenoxy)propylphosphonic acid
CID 67896199
[4-[N-[4-(1-hydroxypropoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 58090228
1-(3-azido-4-chlorophenoxy)propan-1-ol
CID 57021896
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
CID 18791858
1-(4-methoxyphenoxy)propane-1,3-diol
CID 19593615
2-fluoro-1-(4-fluorophenoxy)ethanol
CID 174637164
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287

Frequently Asked Questions

What is the IUPAC name of 1-(4-phosphorosophenoxy)propan-1-ol?
The IUPAC name of 1-(4-phosphorosophenoxy)propan-1-ol (CID 141342595) is 1-(4-phosphorosophenoxy)propan-1-ol.
What is the SMILES notation for 1-(4-phosphorosophenoxy)propan-1-ol?
The canonical SMILES for 1-(4-phosphorosophenoxy)propan-1-ol is CCC(O)Oc1ccc(P=O)cc1.
What is the InChIKey of 1-(4-phosphorosophenoxy)propan-1-ol?
The InChIKey is CTCCFKWQJQLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3P/c1-2-9(10)12-7-3-5-8(13-11)6-4-7/h3-6,9-10H,2H2,1H3.
What are the key properties of 1-(4-phosphorosophenoxy)propan-1-ol?
1-(4-phosphorosophenoxy)propan-1-ol has a molecular weight of 198.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phosphorosophenoxy)propan-1-ol is sourced from PubChem (CID 141342595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).