(4-hydroxyphenyl)astatine

C6H5AtO — CID 12666826

IUPAC(4-hydroxyphenyl)astatine
SMILESOc1ccc([At])cc1
InChIInChI=1S/C6H5AtO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyKSHCWEXODYBEQP-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.57
Rot. Bonds

About (4-hydroxyphenyl)astatine

(4-hydroxyphenyl)astatine (PubChem CID 12666826) has the molecular formula C6H5AtO and a molecular weight of 303.11 g/mol. Its IUPAC name is (4-hydroxyphenyl)astatine.

Molecular Properties

Compound Name(4-hydroxyphenyl)astatine
PubChem CID12666826
Molecular FormulaC6H5AtO
Molecular Weight303.11 g/mol
Exact Mass303.02
IUPAC Name(4-hydroxyphenyl)astatine
SMILESOc1ccc([At])cc1
InChIInChI=1S/C6H5AtO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyKSHCWEXODYBEQP-UHFFFAOYSA-N
XLogP0.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175
benzene-1,4-diol;hydron
CID 137356428
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
bis(benzene-1,4-diol);carbonic acid
CID 68999082
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
4-(iodomethyl)phenol
CID 11241787
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
4-(phosphanylmethyl)phenol
CID 58879736

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)astatine?
The IUPAC name of (4-hydroxyphenyl)astatine (CID 12666826) is (4-hydroxyphenyl)astatine.
What is the SMILES notation for (4-hydroxyphenyl)astatine?
The canonical SMILES for (4-hydroxyphenyl)astatine is Oc1ccc([At])cc1.
What is the InChIKey of (4-hydroxyphenyl)astatine?
The InChIKey is KSHCWEXODYBEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5AtO/c7-5-1-3-6(8)4-2-5/h1-4,8H.
What are the key properties of (4-hydroxyphenyl)astatine?
(4-hydroxyphenyl)astatine has a molecular weight of 303.11 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)astatine is sourced from PubChem (CID 12666826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).