5-bromo-3-methoxy-2-propan-2-ylphenol

C10H13BrO2 — CID 84704901

IUPAC5-bromo-3-methoxy-2-propan-2-ylphenol
SMILESCOc1cc(Br)cc(O)c1C(C)C
InChIInChI=1S/C10H13BrO2/c1-6(2)10-8(12)4-7(11)5-9(10)13-3/h4-6,12H,1-3H3
InChIKeyPUHPXHMNFQLCLX-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-3-methoxy-2-propan-2-ylphenol

5-bromo-3-methoxy-2-propan-2-ylphenol (PubChem CID 84704901) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-3-methoxy-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-bromo-3-methoxy-2-propan-2-ylphenol
PubChem CID84704901
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name5-bromo-3-methoxy-2-propan-2-ylphenol
SMILESCOc1cc(Br)cc(O)c1C(C)C
InChIInChI=1S/C10H13BrO2/c1-6(2)10-8(12)4-7(11)5-9(10)13-3/h4-6,12H,1-3H3
InChIKeyPUHPXHMNFQLCLX-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117463264
2-amino-5-bromo-3-methoxyphenol
CID 131595418
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689
1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene
CID 123542330
5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117494937
4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003
2-(5-bromo-2-hydroxy-3-methoxyphenyl)propanenitrile
CID 131433064
2-(1-aminoethyl)-3-bromo-4,5-dimethoxyphenol
CID 84714360
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-bromo-6-methoxyphenol
CID 131422660
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
7,11,13,16,18,22-hexahydroxy-5,24-dimethoxy-6,23-di(propan-2-yl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
CID 11082676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-2-propan-2-ylphenol?
The IUPAC name of 5-bromo-3-methoxy-2-propan-2-ylphenol (CID 84704901) is 5-bromo-3-methoxy-2-propan-2-ylphenol.
What is the SMILES notation for 5-bromo-3-methoxy-2-propan-2-ylphenol?
The canonical SMILES for 5-bromo-3-methoxy-2-propan-2-ylphenol is COc1cc(Br)cc(O)c1C(C)C.
What is the InChIKey of 5-bromo-3-methoxy-2-propan-2-ylphenol?
The InChIKey is PUHPXHMNFQLCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6(2)10-8(12)4-7(11)5-9(10)13-3/h4-6,12H,1-3H3.
What are the key properties of 5-bromo-3-methoxy-2-propan-2-ylphenol?
5-bromo-3-methoxy-2-propan-2-ylphenol has a molecular weight of 245.12 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-2-propan-2-ylphenol is sourced from PubChem (CID 84704901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).