4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene

C18H19BrO2 — CID 10641362

IUPAC4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene
SMILESC=C(CCCc1ccccc1)Oc1cc(Br)ccc1OC
InChIInChI=1S/C18H19BrO2/c1-14(7-6-10-15-8-4-3-5-9-15)21-18-13-16(19)11-12-17(18)20-2/h3-5,8-9,11-13H,1,6-7,10H2,2H3
InChIKeyDRHMVUKILNBIKM-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.37
Rot. Bonds7

About 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene

4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene (PubChem CID 10641362) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene
PubChem CID10641362
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene
SMILESC=C(CCCc1ccccc1)Oc1cc(Br)ccc1OC
InChIInChI=1S/C18H19BrO2/c1-14(7-6-10-15-8-4-3-5-9-15)21-18-13-16(19)11-12-17(18)20-2/h3-5,8-9,11-13H,1,6-7,10H2,2H3
InChIKeyDRHMVUKILNBIKM-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene?
The IUPAC name of 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene (CID 10641362) is 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene is C=C(CCCc1ccccc1)Oc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene?
The InChIKey is DRHMVUKILNBIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-14(7-6-10-15-8-4-3-5-9-15)21-18-13-16(19)11-12-17(18)20-2/h3-5,8-9,11-13H,1,6-7,10H2,2H3.
What are the key properties of 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene?
4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene has a molecular weight of 347.25 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-(5-phenylpent-1-en-2-yloxy)benzene is sourced from PubChem (CID 10641362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).