CID 67407985

C15H16BO2 — CID 67407985

IUPAC—
SMILESCC(C)O[B]c1ccccc1Oc1ccccc1
InChIInChI=1S/C15H16BO2/c1-12(2)18-16-14-10-6-7-11-15(14)17-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyMUIXZUHGBUUTJX-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.15
Rot. Bonds5

About CID 67407985

CID 67407985 (PubChem CID 67407985) has the molecular formula C15H16BO2 and a molecular weight of 239.10 g/mol.

Molecular Properties

Compound NameCID 67407985
PubChem CID67407985
Molecular FormulaC15H16BO2
Molecular Weight239.10 g/mol
Exact Mass239.12
IUPAC Name—
SMILESCC(C)O[B]c1ccccc1Oc1ccccc1
InChIInChI=1S/C15H16BO2/c1-12(2)18-16-14-10-6-7-11-15(14)17-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyMUIXZUHGBUUTJX-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
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CID 90950955
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CID 159805465
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469138
ethane;1-fluoro-2-phenoxybenzene
CID 170962676

Frequently Asked Questions

What is the IUPAC name of CID 67407985?
The IUPAC name of CID 67407985 (CID 67407985) is not available.
What is the SMILES notation for CID 67407985?
The canonical SMILES for CID 67407985 is CC(C)O[B]c1ccccc1Oc1ccccc1.
What is the InChIKey of CID 67407985?
The InChIKey is MUIXZUHGBUUTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BO2/c1-12(2)18-16-14-10-6-7-11-15(14)17-13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of CID 67407985?
CID 67407985 has a molecular weight of 239.10 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67407985 is sourced from PubChem (CID 67407985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).