CID 59348799

C19H14BrOSi — CID 59348799

IUPAC—
SMILES[Si]c1ccc(COc2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H14BrOSi/c20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-1-11-19(22)12-2-14/h1-12H,13H2
InChIKeySFJKAJDAZOVQPJ-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.49
Rot. Bonds4

About CID 59348799

CID 59348799 (PubChem CID 59348799) has the molecular formula C19H14BrOSi and a molecular weight of 366.31 g/mol.

Molecular Properties

Compound NameCID 59348799
PubChem CID59348799
Molecular FormulaC19H14BrOSi
Molecular Weight366.31 g/mol
Exact Mass365.00
IUPAC Name—
SMILES[Si]c1ccc(COc2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H14BrOSi/c20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-1-11-19(22)12-2-14/h1-12H,13H2
InChIKeySFJKAJDAZOVQPJ-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
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N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
CID 139773227
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
CID 105351408
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4015877
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562

Frequently Asked Questions

What is the IUPAC name of CID 59348799?
The IUPAC name of CID 59348799 (CID 59348799) is not available.
What is the SMILES notation for CID 59348799?
The canonical SMILES for CID 59348799 is [Si]c1ccc(COc2ccc(-c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of CID 59348799?
The InChIKey is SFJKAJDAZOVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrOSi/c20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-1-11-19(22)12-2-14/h1-12H,13H2.
What are the key properties of CID 59348799?
CID 59348799 has a molecular weight of 366.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59348799 is sourced from PubChem (CID 59348799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).