[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite

C37H30BrO5+ — CID 161237616

IUPAC[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite
SMILESCc1cc(OCc2ccccc2)c2cc(OCc3ccccc3)c(-c3ccc(OBr)c(OCc4ccccc4)c3)[o+]c2c1
InChIInChI=1S/C37H30BrO5/c1-26-19-33(39-23-27-11-5-2-6-12-27)31-22-36(41-25-29-15-9-4-10-16-29)37(42-34(31)20-26)30-17-18-32(43-38)35(21-30)40-24-28-13-7-3-8-14-28/h2-22H,23-25H2,1H3/q+1
InChIKeyAHDAOEPRLCAEMR-UHFFFAOYSA-N
MW634.55 g/mol
LogP10.12
Rot. Bonds11

About [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite

[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite (PubChem CID 161237616) has the molecular formula C37H30BrO5+ and a molecular weight of 634.55 g/mol. Its IUPAC name is [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite.

Molecular Properties

Compound Name[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite
PubChem CID161237616
Molecular FormulaC37H30BrO5+
Molecular Weight634.55 g/mol
Exact Mass633.13
IUPAC Name[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite
SMILESCc1cc(OCc2ccccc2)c2cc(OCc3ccccc3)c(-c3ccc(OBr)c(OCc4ccccc4)c3)[o+]c2c1
InChIInChI=1S/C37H30BrO5/c1-26-19-33(39-23-27-11-5-2-6-12-27)31-22-36(41-25-29-15-9-4-10-16-29)37(42-34(31)20-26)30-17-18-32(43-38)35(21-30)40-24-28-13-7-3-8-14-28/h2-22H,23-25H2,1H3/q+1
InChIKeyAHDAOEPRLCAEMR-UHFFFAOYSA-N
XLogP10.12
TPSA48.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.55
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
CID 121324732
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530

Frequently Asked Questions

What is the IUPAC name of [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite?
The IUPAC name of [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite (CID 161237616) is [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite.
What is the SMILES notation for [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite?
The canonical SMILES for [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite is Cc1cc(OCc2ccccc2)c2cc(OCc3ccccc3)c(-c3ccc(OBr)c(OCc4ccccc4)c3)[o+]c2c1.
What is the InChIKey of [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite?
The InChIKey is AHDAOEPRLCAEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30BrO5/c1-26-19-33(39-23-27-11-5-2-6-12-27)31-22-36(41-25-29-15-9-4-10-16-29)37(42-34(31)20-26)30-17-18-32(43-38)35(21-30)40-24-28-13-7-3-8-14-28/h2-22H,23-25H2,1H3/q+1.
What are the key properties of [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite?
[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite has a molecular weight of 634.55 g/mol, XLogP of 10.12, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite is sourced from PubChem (CID 161237616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).