CID 91869714

C15H15BO — CID 91869714

IUPAC—
SMILES[B]c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C15H15BO/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14/h3-11H,1-2H3
InChIKeyJRHGEHLIIAFQLF-UHFFFAOYSA-N
MW222.10 g/mol
LogP3.40
Rot. Bonds3

About CID 91869714

CID 91869714 (PubChem CID 91869714) has the molecular formula C15H15BO and a molecular weight of 222.10 g/mol.

Molecular Properties

Compound NameCID 91869714
PubChem CID91869714
Molecular FormulaC15H15BO
Molecular Weight222.10 g/mol
Exact Mass222.12
IUPAC Name—
SMILES[B]c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C15H15BO/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14/h3-11H,1-2H3
InChIKeyJRHGEHLIIAFQLF-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 53.40
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

1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
1,2-diisocyano-4-(3-propan-2-ylphenoxy)benzene
CID 123578088
N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 43111282
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
1-(3-phenoxyphenyl)ethanol
CID 12882419
CID 88897133
CID 88897133
2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
CID 60986562

Frequently Asked Questions

What is the IUPAC name of CID 91869714?
The IUPAC name of CID 91869714 (CID 91869714) is not available.
What is the SMILES notation for CID 91869714?
The canonical SMILES for CID 91869714 is [B]c1ccc(Oc2cccc(C(C)C)c2)cc1.
What is the InChIKey of CID 91869714?
The InChIKey is JRHGEHLIIAFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14/h3-11H,1-2H3.
What are the key properties of CID 91869714?
CID 91869714 has a molecular weight of 222.10 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91869714 is sourced from PubChem (CID 91869714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).