CID 67927140

C15H16B — CID 67927140

IUPAC—
SMILESCc1cccc(CC[B]c2ccccc2)c1
InChIInChI=1S/C15H16B/c1-13-6-5-7-14(12-13)10-11-16-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
InChIKeyOJXRFPRFUZSNFX-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.99
Rot. Bonds4

About CID 67927140

CID 67927140 (PubChem CID 67927140) has the molecular formula C15H16B and a molecular weight of 207.11 g/mol.

Molecular Properties

Compound NameCID 67927140
PubChem CID67927140
Molecular FormulaC15H16B
Molecular Weight207.11 g/mol
Exact Mass207.13
IUPAC Name—
SMILESCc1cccc(CC[B]c2ccccc2)c1
InChIInChI=1S/C15H16B/c1-13-6-5-7-14(12-13)10-11-16-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
InChIKeyOJXRFPRFUZSNFX-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 63462088
3-(3-methylphenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of CID 67927140?
The IUPAC name of CID 67927140 (CID 67927140) is not available.
What is the SMILES notation for CID 67927140?
The canonical SMILES for CID 67927140 is Cc1cccc(CC[B]c2ccccc2)c1.
What is the InChIKey of CID 67927140?
The InChIKey is OJXRFPRFUZSNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16B/c1-13-6-5-7-14(12-13)10-11-16-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of CID 67927140?
CID 67927140 has a molecular weight of 207.11 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67927140 is sourced from PubChem (CID 67927140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).