CID 167419830

C16H10BO3 — CID 167419830

IUPAC—
SMILESO[B]Oc1c2ccccc2cc2oc3ccccc3c12
InChIInChI=1S/C16H10BO3/c18-17-20-16-11-6-2-1-5-10(11)9-14-15(16)12-7-3-4-8-13(12)19-14/h1-9,18H
InChIKeyAYMIMCWSEBNSBZ-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.64
Rot. Bonds2

About CID 167419830

CID 167419830 (PubChem CID 167419830) has the molecular formula C16H10BO3 and a molecular weight of 261.07 g/mol.

Molecular Properties

Compound NameCID 167419830
PubChem CID167419830
Molecular FormulaC16H10BO3
Molecular Weight261.07 g/mol
Exact Mass261.07
IUPAC Name—
SMILESO[B]Oc1c2ccccc2cc2oc3ccccc3c12
InChIInChI=1S/C16H10BO3/c18-17-20-16-11-6-2-1-5-10(11)9-14-15(16)12-7-3-4-8-13(12)19-14/h1-9,18H
InChIKeyAYMIMCWSEBNSBZ-UHFFFAOYSA-N
XLogP3.64
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthra[2,1-b][1]benzofuran
CID 59403890
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
CID 170654330
CID 170654330
4-naphtho[3,2-b][1]benzofuran-11-ylbenzene-1,3-diol
CID 18687862
CID 170675719
CID 170675719
CID 164799886
CID 164799886
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
CID 164839359
CID 164839359
6,32-dioxa-1-azadecacyclo[21.13.1.02,14.05,13.07,12.015,37.016,21.024,36.025,33.026,31]heptatriaconta-2(14),3,5(13),7,9,11,15(37),16,18,20,22,24(36),25(33),26,28,30,34-heptadecaene
CID 146376238
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
CID 171589033
CID 171589033

Frequently Asked Questions

What is the IUPAC name of CID 167419830?
The IUPAC name of CID 167419830 (CID 167419830) is not available.
What is the SMILES notation for CID 167419830?
The canonical SMILES for CID 167419830 is O[B]Oc1c2ccccc2cc2oc3ccccc3c12.
What is the InChIKey of CID 167419830?
The InChIKey is AYMIMCWSEBNSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BO3/c18-17-20-16-11-6-2-1-5-10(11)9-14-15(16)12-7-3-4-8-13(12)19-14/h1-9,18H.
What are the key properties of CID 167419830?
CID 167419830 has a molecular weight of 261.07 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167419830 is sourced from PubChem (CID 167419830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).