4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine

C19H16BNO — CID 91740992

IUPAC4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine
SMILESCOc1cccc2c1NB(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C19H16BNO/c1-22-18-13-7-11-16-15-10-5-6-12-17(15)20(21-19(16)18)14-8-3-2-4-9-14/h2-13,21H,1H3
InChIKeyFIPCQMABMKZWQA-UHFFFAOYSA-N
MW285.16 g/mol
LogP2.89
Rot. Bonds2

About 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine

4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine (PubChem CID 91740992) has the molecular formula C19H16BNO and a molecular weight of 285.16 g/mol. Its IUPAC name is 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine.

Molecular Properties

Compound Name4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine
PubChem CID91740992
Molecular FormulaC19H16BNO
Molecular Weight285.16 g/mol
Exact Mass285.13
IUPAC Name4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine
SMILESCOc1cccc2c1NB(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C19H16BNO/c1-22-18-13-7-11-16-15-10-5-6-12-17(15)20(21-19(16)18)14-8-3-2-4-9-14/h2-13,21H,1H3
InChIKeyFIPCQMABMKZWQA-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,2-dimethoxybenzene;dihydrochloride
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1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
5,6-bis(2-methoxyphenyl)tetrathiine
CID 101437216
5-(2-methoxyphenyl)-2,3-diphenylthiophene
CID 54166274
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
8-methoxy-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 54763699
3-methoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 14905238
(2-methoxyphenyl)borinic acid
CID 143998271
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine?
The IUPAC name of 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine (CID 91740992) is 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine.
What is the SMILES notation for 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine?
The canonical SMILES for 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine is COc1cccc2c1NB(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine?
The InChIKey is FIPCQMABMKZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BNO/c1-22-18-13-7-11-16-15-10-5-6-12-17(15)20(21-19(16)18)14-8-3-2-4-9-14/h2-13,21H,1H3.
What are the key properties of 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine?
4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine has a molecular weight of 285.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenyl-5H-benzo[c][1,2]benzazaborinine is sourced from PubChem (CID 91740992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).