4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol

C19H21BrO2 — CID 53392953

IUPAC4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol
SMILESC=CCc1cc(-c2cc(CC(C)Br)ccc2O)ccc1OC
InChIInChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
InChIKeyZZVCORQGJBSHDI-UHFFFAOYSA-N
MW361.28 g/mol
LogP5.12
Rot. Bonds6

About 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol

4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol (PubChem CID 53392953) has the molecular formula C19H21BrO2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol.

Molecular Properties

Compound Name4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol
PubChem CID53392953
Molecular FormulaC19H21BrO2
Molecular Weight361.28 g/mol
Exact Mass360.07
IUPAC Name4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol
SMILESC=CCc1cc(-c2cc(CC(C)Br)ccc2O)ccc1OC
InChIInChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
InChIKeyZZVCORQGJBSHDI-UHFFFAOYSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol 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-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol?
The IUPAC name of 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol (CID 53392953) is 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol.
What is the SMILES notation for 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol?
The canonical SMILES for 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol is C=CCc1cc(-c2cc(CC(C)Br)ccc2O)ccc1OC.
What is the InChIKey of 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol?
The InChIKey is ZZVCORQGJBSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3.
What are the key properties of 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol?
4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol has a molecular weight of 361.28 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropyl)-2-(4-methoxy-3-prop-2-enylphenyl)phenol is sourced from PubChem (CID 53392953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).