1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene

C15H14BrNO3 — CID 126540380

IUPAC1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
SMILESCOc1cc(Br)c(CN=O)cc1OCc1ccccc1
InChIInChI=1S/C15H14BrNO3/c1-19-14-8-13(16)12(9-17-18)7-15(14)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyOTCSUYLVNOBDIM-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.30
Rot. Bonds6

About 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene

1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene (PubChem CID 126540380) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
PubChem CID126540380
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
SMILESCOc1cc(Br)c(CN=O)cc1OCc1ccccc1
InChIInChI=1S/C15H14BrNO3/c1-19-14-8-13(16)12(9-17-18)7-15(14)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyOTCSUYLVNOBDIM-UHFFFAOYSA-N
XLogP4.30
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
CID 90921547
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
CID 126483906
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
CID 7454835
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
ethyl (E)-4-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)but-2-enoate
CID 71713736
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3369905
1-bromo-4-methoxy-2-[(Z)-2-nitroethenyl]-5-phenylmethoxybenzene
CID 23888814
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-2-chlorobenzoic acid
CID 66544697
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene (CID 126540380) is 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene is COc1cc(Br)c(CN=O)cc1OCc1ccccc1.
What is the InChIKey of 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene?
The InChIKey is OTCSUYLVNOBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-14-8-13(16)12(9-17-18)7-15(14)20-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene?
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene has a molecular weight of 336.19 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 126540380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).