1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene

C16H14BrNO4 — CID 23972782

IUPAC1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])cc(Br)c1OCc1ccccc1
InChIInChI=1S/C16H14BrNO4/c1-21-15-10-13(7-8-18(19)20)9-14(17)16(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/b8-7-
InChIKeyZDCUMMCXBRHKBH-FPLPWBNLSA-N
MW364.19 g/mol
LogP4.28
Rot. Bonds6

About 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene

1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene (PubChem CID 23972782) has the molecular formula C16H14BrNO4 and a molecular weight of 364.19 g/mol. Its IUPAC name is 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
PubChem CID23972782
Molecular FormulaC16H14BrNO4
Molecular Weight364.19 g/mol
Exact Mass363.01
IUPAC Name1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
SMILESCOc1cc(/C=C\[N+](=O)[O-])cc(Br)c1OCc1ccccc1
InChIInChI=1S/C16H14BrNO4/c1-21-15-10-13(7-8-18(19)20)9-14(17)16(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/b8-7-
InChIKeyZDCUMMCXBRHKBH-FPLPWBNLSA-N
XLogP4.28
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684947
1-bromo-4-methoxy-2-[(Z)-2-nitroethenyl]-5-phenylmethoxybenzene
CID 23888814
1,5-dibromo-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 5368263
[2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-ethoxybenzoate
CID 19170420
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831738
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
(E)-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91685310
(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 19191926
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxy-5-[(E)-2-nitroethenyl]benzene
CID 1260860
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 4209529

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene?
The IUPAC name of 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene (CID 23972782) is 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene is COc1cc(/C=C\[N+](=O)[O-])cc(Br)c1OCc1ccccc1.
What is the InChIKey of 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene?
The InChIKey is ZDCUMMCXBRHKBH-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-21-15-10-13(7-8-18(19)20)9-14(17)16(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/b8-7-.
What are the key properties of 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene?
1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene has a molecular weight of 364.19 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene is sourced from PubChem (CID 23972782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).