CID 153329393

C14H13BO — CID 153329393

IUPAC—
SMILESCC.[B]c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H7BO.C2H6/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-2/h1-7H;1-2H3
InChIKeyHNOPUIYSOLCCKG-UHFFFAOYSA-N
MW208.07 g/mol
LogP3.41
Rot. Bonds

About CID 153329393

CID 153329393 (PubChem CID 153329393) has the molecular formula C14H13BO and a molecular weight of 208.07 g/mol.

Molecular Properties

Compound NameCID 153329393
PubChem CID153329393
Molecular FormulaC14H13BO
Molecular Weight208.07 g/mol
Exact Mass208.11
IUPAC Name—
SMILESCC.[B]c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C12H7BO.C2H6/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-2/h1-7H;1-2H3
InChIKeyHNOPUIYSOLCCKG-UHFFFAOYSA-N
XLogP3.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 53.41
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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10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
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dibenzofuran;hydrate
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dibenzofuran;hydrofluoride
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dibenzofuran-2-amine
CID 19405
CID 90291971
CID 90291971
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
2-prop-1-en-2-yldibenzofuran
CID 142504770

Frequently Asked Questions

What is the IUPAC name of CID 153329393?
The IUPAC name of CID 153329393 (CID 153329393) is not available.
What is the SMILES notation for CID 153329393?
The canonical SMILES for CID 153329393 is CC.[B]c1ccc2oc3ccccc3c2c1.
What is the InChIKey of CID 153329393?
The InChIKey is HNOPUIYSOLCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BO.C2H6/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;1-2/h1-7H;1-2H3.
What are the key properties of CID 153329393?
CID 153329393 has a molecular weight of 208.07 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153329393 is sourced from PubChem (CID 153329393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).