2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine

C19H15BO — CID 177073473

IUPAC2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine
SMILESCc1ccc2c(c1)B(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C19H15BO/c1-14-11-12-19-17(13-14)20(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21-19/h2-13H,1H3
InChIKeyMFGWJCSRQKEAGH-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.62
Rot. Bonds1

About 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine

2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine (PubChem CID 177073473) has the molecular formula C19H15BO and a molecular weight of 270.14 g/mol. Its IUPAC name is 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine.

Molecular Properties

Compound Name2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine
PubChem CID177073473
Molecular FormulaC19H15BO
Molecular Weight270.14 g/mol
Exact Mass270.12
IUPAC Name2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine
SMILESCc1ccc2c(c1)B(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C19H15BO/c1-14-11-12-19-17(13-14)20(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21-19/h2-13H,1H3
InChIKeyMFGWJCSRQKEAGH-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.62
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

11-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;10-(4-methylphenyl)benzo[b][1,4]benzoxaborinine
CID 158699032
8,22-dimethyl-5,15,25-triphenyl-5,15,25-triboraheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaene
CID 58776483
10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
CID 166016106
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)benzene-1,3,5-triamine
CID 155654347
1,3-diphenoxybenzene;5-methyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 159963957
4,18-dimethyl-10-N,10-N,12-N,12-N-tetraphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-10,12-diamine
CID 158449491
10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine
CID 164748077
9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-3,6-dimethylcarbazole
CID 163727345
10-[2,4-dimethyl-6-(trideuteriomethyl)phenyl]benzo[b][1,4]benzoxaborinine
CID 167555800
10-phenyl-3-[3-(7-phenyltriphenylen-2-yl)phenyl]benzo[b][1,4]benzoxaborinine
CID 142356727
12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene
CID 162713674
12,18,22,28-tetraoxa-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 123714623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine?
The IUPAC name of 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine (CID 177073473) is 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine.
What is the SMILES notation for 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine?
The canonical SMILES for 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine is Cc1ccc2c(c1)B(c1ccccc1)c1ccccc1O2.
What is the InChIKey of 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine?
The InChIKey is MFGWJCSRQKEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BO/c1-14-11-12-19-17(13-14)20(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21-19/h2-13H,1H3.
What are the key properties of 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine?
2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine has a molecular weight of 270.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine is sourced from PubChem (CID 177073473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).