4-bromo-5-methoxy-2-phenylbenzonitrile

C14H10BrNO — CID 175277846

IUPAC4-bromo-5-methoxy-2-phenylbenzonitrile
SMILESCOc1cc(C#N)c(-c2ccccc2)cc1Br
InChIInChI=1S/C14H10BrNO/c1-17-14-7-11(9-16)12(8-13(14)15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyXPCYEVWZXCXPOI-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.00
Rot. Bonds2

About 4-bromo-5-methoxy-2-phenylbenzonitrile

4-bromo-5-methoxy-2-phenylbenzonitrile (PubChem CID 175277846) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-phenylbenzonitrile.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-phenylbenzonitrile
PubChem CID175277846
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name4-bromo-5-methoxy-2-phenylbenzonitrile
SMILESCOc1cc(C#N)c(-c2ccccc2)cc1Br
InChIInChI=1S/C14H10BrNO/c1-17-14-7-11(9-16)12(8-13(14)15)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyXPCYEVWZXCXPOI-UHFFFAOYSA-N
XLogP4.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-5-methoxy-2-phenylbenzonitrile
CID 175277851
5-methoxy-2-phenyl-4-(trifluoromethyl)benzonitrile
CID 175277844
5,8-dibromo-3-phenylnaphthalene-2-carbonitrile
CID 102235921
2-methoxy-3-phenylbenzonitrile
CID 91276072
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972
2-(5-bromo-2-cyano-4-methoxyphenyl)acetic acid
CID 131321386
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]benzonitrile
CID 79415751
5-bromo-2-(furan-2-yl)-4-methoxybenzonitrile
CID 168528041
2-bromo-3-phenylbenzonitrile
CID 141263565
(5-bromo-4-cyano-2-methoxyphenyl) benzoate
CID 19617552
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-phenylbenzonitrile?
The IUPAC name of 4-bromo-5-methoxy-2-phenylbenzonitrile (CID 175277846) is 4-bromo-5-methoxy-2-phenylbenzonitrile.
What is the SMILES notation for 4-bromo-5-methoxy-2-phenylbenzonitrile?
The canonical SMILES for 4-bromo-5-methoxy-2-phenylbenzonitrile is COc1cc(C#N)c(-c2ccccc2)cc1Br.
What is the InChIKey of 4-bromo-5-methoxy-2-phenylbenzonitrile?
The InChIKey is XPCYEVWZXCXPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-17-14-7-11(9-16)12(8-13(14)15)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-bromo-5-methoxy-2-phenylbenzonitrile?
4-bromo-5-methoxy-2-phenylbenzonitrile has a molecular weight of 288.14 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2-phenylbenzonitrile is sourced from PubChem (CID 175277846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).