(3-tert-butylphenoxy)-hydroxy-oxophosphanium

C10H14O3P+ — CID 122506507

IUPAC(3-tert-butylphenoxy)-hydroxy-oxophosphanium
SMILESCC(C)(C)c1cccc(O[P+](=O)O)c1
InChIInChI=1S/C10H13O3P/c1-10(2,3)8-5-4-6-9(7-8)13-14(11)12/h4-7H,1-3H3/p+1
InChIKeyHNDYUNJFWKZVKB-UHFFFAOYSA-O
MW213.19 g/mol
LogP3.01
Rot. Bonds2

About (3-tert-butylphenoxy)-hydroxy-oxophosphanium

(3-tert-butylphenoxy)-hydroxy-oxophosphanium (PubChem CID 122506507) has the molecular formula C10H14O3P+ and a molecular weight of 213.19 g/mol. Its IUPAC name is (3-tert-butylphenoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-tert-butylphenoxy)-hydroxy-oxophosphanium
PubChem CID122506507
Molecular FormulaC10H14O3P+
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(3-tert-butylphenoxy)-hydroxy-oxophosphanium
SMILESCC(C)(C)c1cccc(O[P+](=O)O)c1
InChIInChI=1S/C10H13O3P/c1-10(2,3)8-5-4-6-9(7-8)13-14(11)12/h4-7H,1-3H3/p+1
InChIKeyHNDYUNJFWKZVKB-UHFFFAOYSA-O
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butylphenyl) trifluoromethanesulfonate
CID 22261847
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
1-(3-tert-butylphenoxy)-4-methylpentan-3-one
CID 39351110
ethyl 2-(3-tert-butylphenoxy)butanoate
CID 63001634
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
alumane;1,3-ditert-butylbenzene
CID 174392215
(3-tert-butylphenyl) N,N-dimethylsulfamate
CID 23557573
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
(3-tert-butylphenyl) 1-fluoroethyl carbonate
CID 67160680
(3-tert-butylphenoxy)-tri(propan-2-yl)silane
CID 164678571
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenoxy)-hydroxy-oxophosphanium?
The IUPAC name of (3-tert-butylphenoxy)-hydroxy-oxophosphanium (CID 122506507) is (3-tert-butylphenoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for (3-tert-butylphenoxy)-hydroxy-oxophosphanium?
The canonical SMILES for (3-tert-butylphenoxy)-hydroxy-oxophosphanium is CC(C)(C)c1cccc(O[P+](=O)O)c1.
What is the InChIKey of (3-tert-butylphenoxy)-hydroxy-oxophosphanium?
The InChIKey is HNDYUNJFWKZVKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O3P/c1-10(2,3)8-5-4-6-9(7-8)13-14(11)12/h4-7H,1-3H3/p+1.
What are the key properties of (3-tert-butylphenoxy)-hydroxy-oxophosphanium?
(3-tert-butylphenoxy)-hydroxy-oxophosphanium has a molecular weight of 213.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 122506507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).