1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol

C16H15BrO2 — CID 154719581

IUPAC1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H15BrO2/c1-2-16(18)14-10-13(8-9-15(14)17)19-11-12-6-4-3-5-7-12/h2-10,16,18H,1,11H2
InChIKeyFZGHLYZVSDQNPJ-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.25
Rot. Bonds5

About 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol

1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol (PubChem CID 154719581) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol
PubChem CID154719581
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H15BrO2/c1-2-16(18)14-10-13(8-9-15(14)17)19-11-12-6-4-3-5-7-12/h2-10,16,18H,1,11H2
InChIKeyFZGHLYZVSDQNPJ-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol 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 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol (CID 154719581) is 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol is C=CC(O)c1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol?
The InChIKey is FZGHLYZVSDQNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-2-16(18)14-10-13(8-9-15(14)17)19-11-12-6-4-3-5-7-12/h2-10,16,18H,1,11H2.
What are the key properties of 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol?
1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol has a molecular weight of 319.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-phenylmethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 154719581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).