5-bromo-4-methyl-2-(2-nitrosoethyl)phenol

C9H10BrNO2 — CID 123963066

IUPAC5-bromo-4-methyl-2-(2-nitrosoethyl)phenol
SMILESCc1cc(CCN=O)c(O)cc1Br
InChIInChI=1S/C9H10BrNO2/c1-6-4-7(2-3-11-13)9(12)5-8(6)10/h4-5,12H,2-3H2,1H3
InChIKeyYOGYLQHICLQBIG-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.77
Rot. Bonds3

About 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol

5-bromo-4-methyl-2-(2-nitrosoethyl)phenol (PubChem CID 123963066) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(2-nitrosoethyl)phenol
PubChem CID123963066
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name5-bromo-4-methyl-2-(2-nitrosoethyl)phenol
SMILESCc1cc(CCN=O)c(O)cc1Br
InChIInChI=1S/C9H10BrNO2/c1-6-4-7(2-3-11-13)9(12)5-8(6)10/h4-5,12H,2-3H2,1H3
InChIKeyYOGYLQHICLQBIG-UHFFFAOYSA-N
XLogP2.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol?
The IUPAC name of 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol (CID 123963066) is 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol.
What is the SMILES notation for 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol?
The canonical SMILES for 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol is Cc1cc(CCN=O)c(O)cc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol?
The InChIKey is YOGYLQHICLQBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-6-4-7(2-3-11-13)9(12)5-8(6)10/h4-5,12H,2-3H2,1H3.
What are the key properties of 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol?
5-bromo-4-methyl-2-(2-nitrosoethyl)phenol has a molecular weight of 244.09 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(2-nitrosoethyl)phenol is sourced from PubChem (CID 123963066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).