(E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol

C17H17BrO3 — CID 154711664

IUPAC(E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol
SMILESCOc1ccc(/C=C/C(O)c2ccccc2Br)c(CO)c1
InChIInChI=1S/C17H17BrO3/c1-21-14-8-6-12(13(10-14)11-19)7-9-17(20)15-4-2-3-5-16(15)18/h2-10,17,19-20H,11H2,1H3/b9-7+
InChIKeyUNDMBBMHJRYJNU-VQHVLOKHSA-N
MW349.22 g/mol
LogP3.70
Rot. Bonds5

About (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol

(E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol (PubChem CID 154711664) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol
PubChem CID154711664
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol
SMILESCOc1ccc(/C=C/C(O)c2ccccc2Br)c(CO)c1
InChIInChI=1S/C17H17BrO3/c1-21-14-8-6-12(13(10-14)11-19)7-9-17(20)15-4-2-3-5-16(15)18/h2-10,17,19-20H,11H2,1H3/b9-7+
InChIKeyUNDMBBMHJRYJNU-VQHVLOKHSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]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 (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol?
The IUPAC name of (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol (CID 154711664) is (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol is COc1ccc(/C=C/C(O)c2ccccc2Br)c(CO)c1.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol?
The InChIKey is UNDMBBMHJRYJNU-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-21-14-8-6-12(13(10-14)11-19)7-9-17(20)15-4-2-3-5-16(15)18/h2-10,17,19-20H,11H2,1H3/b9-7+.
What are the key properties of (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol?
(E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol has a molecular weight of 349.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-3-[2-(hydroxymethyl)-4-methoxyphenyl]prop-2-en-1-ol is sourced from PubChem (CID 154711664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).