4-bromo-2-methoxy-1-propan-2-yloxybenzene

C10H13BrO2 — CID 11149245

IUPAC4-bromo-2-methoxy-1-propan-2-yloxybenzene
SMILESCOc1cc(Br)ccc1OC(C)C
InChIInChI=1S/C10H13BrO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3
InChIKeyHRFNLAXNVRSXPK-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-2-methoxy-1-propan-2-yloxybenzene

4-bromo-2-methoxy-1-propan-2-yloxybenzene (PubChem CID 11149245) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-bromo-2-methoxy-1-propan-2-yloxybenzene
PubChem CID11149245
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name4-bromo-2-methoxy-1-propan-2-yloxybenzene
SMILESCOc1cc(Br)ccc1OC(C)C
InChIInChI=1S/C10H13BrO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3
InChIKeyHRFNLAXNVRSXPK-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane
CID 143355903
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
5-bromo-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
CID 18823275
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1-propan-2-yloxybenzene?
The IUPAC name of 4-bromo-2-methoxy-1-propan-2-yloxybenzene (CID 11149245) is 4-bromo-2-methoxy-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-bromo-2-methoxy-1-propan-2-yloxybenzene?
The canonical SMILES for 4-bromo-2-methoxy-1-propan-2-yloxybenzene is COc1cc(Br)ccc1OC(C)C.
What is the InChIKey of 4-bromo-2-methoxy-1-propan-2-yloxybenzene?
The InChIKey is HRFNLAXNVRSXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3.
What are the key properties of 4-bromo-2-methoxy-1-propan-2-yloxybenzene?
4-bromo-2-methoxy-1-propan-2-yloxybenzene has a molecular weight of 245.12 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-1-propan-2-yloxybenzene is sourced from PubChem (CID 11149245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).