1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene

C23H19BrO2 — CID 134870119

IUPAC1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)C2(Br)c2ccccc2)cc1
InChIInChI=1S/C23H19BrO2/c1-25-19-12-8-16(9-13-19)21-22(17-10-14-20(26-2)15-11-17)23(21,24)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyCOORHWMQJKFSEG-UHFFFAOYSA-N
MW407.31 g/mol
LogP5.92
Rot. Bonds5

About 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene

1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene (PubChem CID 134870119) has the molecular formula C23H19BrO2 and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
PubChem CID134870119
Molecular FormulaC23H19BrO2
Molecular Weight407.31 g/mol
Exact Mass406.06
IUPAC Name1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)C2(Br)c2ccccc2)cc1
InChIInChI=1S/C23H19BrO2/c1-25-19-12-8-16(9-13-19)21-22(17-10-14-20(26-2)15-11-17)23(21,24)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyCOORHWMQJKFSEG-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene 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

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
1-methoxy-4-(3,3,5-trimethyl-2-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 10017114
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene?
The IUPAC name of 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene (CID 134870119) is 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene?
The canonical SMILES for 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene is COc1ccc(C2=C(c3ccc(OC)cc3)C2(Br)c2ccccc2)cc1.
What is the InChIKey of 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene?
The InChIKey is COORHWMQJKFSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrO2/c1-25-19-12-8-16(9-13-19)21-22(17-10-14-20(26-2)15-11-17)23(21,24)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene?
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene has a molecular weight of 407.31 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene is sourced from PubChem (CID 134870119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).