CID 174026902

C14H22BO2 — CID 174026902

IUPAC—
SMILESCc1ccc([B]OC(C)(C)C(C)(C)O)c(C)c1
InChIInChI=1S/C14H22BO2/c1-10-7-8-12(11(2)9-10)15-17-14(5,6)13(3,4)16/h7-9,16H,1-6H3
InChIKeyMCQYPFLRYPINKB-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.11
Rot. Bonds4

About CID 174026902

CID 174026902 (PubChem CID 174026902) has the molecular formula C14H22BO2 and a molecular weight of 233.14 g/mol.

Molecular Properties

Compound NameCID 174026902
PubChem CID174026902
Molecular FormulaC14H22BO2
Molecular Weight233.14 g/mol
Exact Mass233.17
IUPAC Name—
SMILESCc1ccc([B]OC(C)(C)C(C)(C)O)c(C)c1
InChIInChI=1S/C14H22BO2/c1-10-7-8-12(11(2)9-10)15-17-14(5,6)13(3,4)16/h7-9,16H,1-6H3
InChIKeyMCQYPFLRYPINKB-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174026902?
The IUPAC name of CID 174026902 (CID 174026902) is not available.
What is the SMILES notation for CID 174026902?
The canonical SMILES for CID 174026902 is Cc1ccc([B]OC(C)(C)C(C)(C)O)c(C)c1.
What is the InChIKey of CID 174026902?
The InChIKey is MCQYPFLRYPINKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BO2/c1-10-7-8-12(11(2)9-10)15-17-14(5,6)13(3,4)16/h7-9,16H,1-6H3.
What are the key properties of CID 174026902?
CID 174026902 has a molecular weight of 233.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174026902 is sourced from PubChem (CID 174026902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).