2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol

C12H17BrO2 — CID 116863189

IUPAC2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
SMILESCOc1ccc(C(O)CBr)cc1C(C)C
InChIInChI=1S/C12H17BrO2/c1-8(2)10-6-9(11(14)7-13)4-5-12(10)15-3/h4-6,8,11,14H,7H2,1-3H3
InChIKeyRRDWCEJEVSWIOJ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.25
Rot. Bonds4

About 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol

2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol (PubChem CID 116863189) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
PubChem CID116863189
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
SMILESCOc1ccc(C(O)CBr)cc1C(C)C
InChIInChI=1S/C12H17BrO2/c1-8(2)10-6-9(11(14)7-13)4-5-12(10)15-3/h4-6,8,11,14H,7H2,1-3H3
InChIKeyRRDWCEJEVSWIOJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-isocyano-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 5129872
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
CID 112510486
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
3-(4-methoxy-3-propan-2-ylphenyl)butane-1-thiol
CID 83926790
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol (CID 116863189) is 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol is COc1ccc(C(O)CBr)cc1C(C)C.
What is the InChIKey of 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol?
The InChIKey is RRDWCEJEVSWIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8(2)10-6-9(11(14)7-13)4-5-12(10)15-3/h4-6,8,11,14H,7H2,1-3H3.
What are the key properties of 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol?
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol has a molecular weight of 273.17 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 116863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).