CID 174042192

C16H10BBrO — CID 174042192

IUPAC—
SMILES[B]c1ccc(Oc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C16H10BBrO/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-12-7-5-11(18)6-8-12/h1-10H
InChIKeyGJQJEDDUVPNGHP-UHFFFAOYSA-N
MW308.97 g/mol
LogP4.19
Rot. Bonds2

About CID 174042192

CID 174042192 (PubChem CID 174042192) has the molecular formula C16H10BBrO and a molecular weight of 308.97 g/mol.

Molecular Properties

Compound NameCID 174042192
PubChem CID174042192
Molecular FormulaC16H10BBrO
Molecular Weight308.97 g/mol
Exact Mass308.00
IUPAC Name—
SMILES[B]c1ccc(Oc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C16H10BBrO/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-12-7-5-11(18)6-8-12/h1-10H
InChIKeyGJQJEDDUVPNGHP-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.97
LogP ≤ 54.19
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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CID 159940982
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CID 28602302
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CID 102025054
CID 174079160
CID 174079160
[8-(4-bromophenoxy)quinolin-5-yl]methanamine
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[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of CID 174042192?
The IUPAC name of CID 174042192 (CID 174042192) is not available.
What is the SMILES notation for CID 174042192?
The canonical SMILES for CID 174042192 is [B]c1ccc(Oc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of CID 174042192?
The InChIKey is GJQJEDDUVPNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BBrO/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-12-7-5-11(18)6-8-12/h1-10H.
What are the key properties of CID 174042192?
CID 174042192 has a molecular weight of 308.97 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174042192 is sourced from PubChem (CID 174042192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).