1-bromo-2-methoxy-3-propan-2-ylbenzene

C10H13BrO — CID 11333670

IUPAC1-bromo-2-methoxy-3-propan-2-ylbenzene
SMILESCOc1c(Br)cccc1C(C)C
InChIInChI=1S/C10H13BrO/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7H,1-3H3
InChIKeyRMYVECCGQUCNMZ-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.58
Rot. Bonds2

About 1-bromo-2-methoxy-3-propan-2-ylbenzene

1-bromo-2-methoxy-3-propan-2-ylbenzene (PubChem CID 11333670) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-bromo-2-methoxy-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-2-methoxy-3-propan-2-ylbenzene
PubChem CID11333670
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-bromo-2-methoxy-3-propan-2-ylbenzene
SMILESCOc1c(Br)cccc1C(C)C
InChIInChI=1S/C10H13BrO/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7H,1-3H3
InChIKeyRMYVECCGQUCNMZ-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromo-2-methoxyphenyl)-2-(methylamino)ethanol
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1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
1-[(1S)-1-bromoethyl]-3-[(1R)-1-bromoethyl]-2-methoxybenzene
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1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-bromo-6-propan-2-ylphenol
CID 14663965
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
1,4-dibromo-2,3-dimethoxybenzene
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CID 83675437

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-3-propan-2-ylbenzene?
The IUPAC name of 1-bromo-2-methoxy-3-propan-2-ylbenzene (CID 11333670) is 1-bromo-2-methoxy-3-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-2-methoxy-3-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-2-methoxy-3-propan-2-ylbenzene is COc1c(Br)cccc1C(C)C.
What is the InChIKey of 1-bromo-2-methoxy-3-propan-2-ylbenzene?
The InChIKey is RMYVECCGQUCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7H,1-3H3.
What are the key properties of 1-bromo-2-methoxy-3-propan-2-ylbenzene?
1-bromo-2-methoxy-3-propan-2-ylbenzene has a molecular weight of 229.12 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-3-propan-2-ylbenzene is sourced from PubChem (CID 11333670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).