CID 59413465

C14H9BO — CID 59413465

IUPAC—
SMILES[B]c1oc2ccccc2c1-c1ccccc1
InChIInChI=1S/C14H9BO/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H
InChIKeyPDVOXXYSYSXPCT-UHFFFAOYSA-N
MW204.04 g/mol
LogP2.89
Rot. Bonds1

About CID 59413465

CID 59413465 (PubChem CID 59413465) has the molecular formula C14H9BO and a molecular weight of 204.04 g/mol.

Molecular Properties

Compound NameCID 59413465
PubChem CID59413465
Molecular FormulaC14H9BO
Molecular Weight204.04 g/mol
Exact Mass204.07
IUPAC Name—
SMILES[B]c1oc2ccccc2c1-c1ccccc1
InChIInChI=1S/C14H9BO/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H
InChIKeyPDVOXXYSYSXPCT-UHFFFAOYSA-N
XLogP2.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.89
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

CID 59413433
CID 59413433
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
2-bromo-1-phenyldibenzofuran
CID 138481410
3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
CID 175426400
6-ethyl-11-phenylindeno[1,2-c]chromene
CID 135026669
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
3-ethenyl-4-phenylchromen-2-one
CID 24787269
4-amino-3-phenylchromen-2-one
CID 617040
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586
CID 174028694
CID 174028694

Frequently Asked Questions

What is the IUPAC name of CID 59413465?
The IUPAC name of CID 59413465 (CID 59413465) is not available.
What is the SMILES notation for CID 59413465?
The canonical SMILES for CID 59413465 is [B]c1oc2ccccc2c1-c1ccccc1.
What is the InChIKey of CID 59413465?
The InChIKey is PDVOXXYSYSXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BO/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9H.
What are the key properties of CID 59413465?
CID 59413465 has a molecular weight of 204.04 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59413465 is sourced from PubChem (CID 59413465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).