2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol

C13H19BrO2 — CID 117463264

IUPAC2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(Br)cc(C(C)(C)O)c1C(C)C
InChIInChI=1S/C13H19BrO2/c1-8(2)12-10(13(3,4)15)6-9(14)7-11(12)16-5/h6-8,15H,1-5H3
InChIKeyDPNGDAVBEZGTSR-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.81
Rot. Bonds3

About 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol

2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol (PubChem CID 117463264) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
PubChem CID117463264
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(Br)cc(C(C)(C)O)c1C(C)C
InChIInChI=1S/C13H19BrO2/c1-8(2)12-10(13(3,4)15)6-9(14)7-11(12)16-5/h6-8,15H,1-5H3
InChIKeyDPNGDAVBEZGTSR-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol 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

5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
2-(3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117297916
5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117494937
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol
CID 58910049
4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
CID 114228199
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
CID 117357814
1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene
CID 123542330
4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol (CID 117463264) is 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol is COc1cc(Br)cc(C(C)(C)O)c1C(C)C.
What is the InChIKey of 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
The InChIKey is DPNGDAVBEZGTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-8(2)12-10(13(3,4)15)6-9(14)7-11(12)16-5/h6-8,15H,1-5H3.
What are the key properties of 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol?
2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 117463264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).