CID 90145751

C7H7BBrO2 — CID 90145751

IUPAC—
SMILESO[B]c1ccc(Br)cc1CO
InChIInChI=1S/C7H7BBrO2/c9-6-1-2-7(8-11)5(3-6)4-10/h1-3,10-11H,4H2
InChIKeyLPDMMNTVSLEZLN-UHFFFAOYSA-N
MW213.85 g/mol
LogP0.18
Rot. Bonds2

About CID 90145751

CID 90145751 (PubChem CID 90145751) has the molecular formula C7H7BBrO2 and a molecular weight of 213.85 g/mol.

Molecular Properties

Compound NameCID 90145751
PubChem CID90145751
Molecular FormulaC7H7BBrO2
Molecular Weight213.85 g/mol
Exact Mass212.97
IUPAC Name—
SMILESO[B]c1ccc(Br)cc1CO
InChIInChI=1S/C7H7BBrO2/c9-6-1-2-7(8-11)5(3-6)4-10/h1-3,10-11H,4H2
InChIKeyLPDMMNTVSLEZLN-UHFFFAOYSA-N
XLogP0.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.85
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-phenylphenyl)methanol
CID 59266499
5-bromo-2-(hydroxymethyl)benzonitrile
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[4-bromo-2-(hydroxymethyl)phenyl] acetate
CID 130978609
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
CID 84802533
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130632072
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol
CID 84805928
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
3-[4-bromo-2-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899244
(5-bromo-1-benzothiophen-7-yl)methanol
CID 169261568

Frequently Asked Questions

What is the IUPAC name of CID 90145751?
The IUPAC name of CID 90145751 (CID 90145751) is not available.
What is the SMILES notation for CID 90145751?
The canonical SMILES for CID 90145751 is O[B]c1ccc(Br)cc1CO.
What is the InChIKey of CID 90145751?
The InChIKey is LPDMMNTVSLEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BBrO2/c9-6-1-2-7(8-11)5(3-6)4-10/h1-3,10-11H,4H2.
What are the key properties of CID 90145751?
CID 90145751 has a molecular weight of 213.85 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90145751 is sourced from PubChem (CID 90145751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).