1-bromo-3-methoxy-5-methyl-2-propoxybenzene

C11H15BrO2 — CID 19887974

IUPAC1-bromo-3-methoxy-5-methyl-2-propoxybenzene
SMILESCCCOc1c(Br)cc(C)cc1OC
InChIInChI=1S/C11H15BrO2/c1-4-5-14-11-9(12)6-8(2)7-10(11)13-3/h6-7H,4-5H2,1-3H3
InChIKeyMOUDFLYLESIIGY-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.55
Rot. Bonds4

About 1-bromo-3-methoxy-5-methyl-2-propoxybenzene

1-bromo-3-methoxy-5-methyl-2-propoxybenzene (PubChem CID 19887974) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-bromo-3-methoxy-5-methyl-2-propoxybenzene.

Molecular Properties

Compound Name1-bromo-3-methoxy-5-methyl-2-propoxybenzene
PubChem CID19887974
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-bromo-3-methoxy-5-methyl-2-propoxybenzene
SMILESCCCOc1c(Br)cc(C)cc1OC
InChIInChI=1S/C11H15BrO2/c1-4-5-14-11-9(12)6-8(2)7-10(11)13-3/h6-7H,4-5H2,1-3H3
InChIKeyMOUDFLYLESIIGY-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 55918241
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29227314
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 82685518
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-cyclopentylmethanamine
CID 43431113
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-5-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-propoxybenzamide
CID 31177545
(3-bromo-5-methoxy-4-pentoxyphenyl)methylazanium
CID 7139506
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxy-5-methyl-2-propoxybenzene?
The IUPAC name of 1-bromo-3-methoxy-5-methyl-2-propoxybenzene (CID 19887974) is 1-bromo-3-methoxy-5-methyl-2-propoxybenzene.
What is the SMILES notation for 1-bromo-3-methoxy-5-methyl-2-propoxybenzene?
The canonical SMILES for 1-bromo-3-methoxy-5-methyl-2-propoxybenzene is CCCOc1c(Br)cc(C)cc1OC.
What is the InChIKey of 1-bromo-3-methoxy-5-methyl-2-propoxybenzene?
The InChIKey is MOUDFLYLESIIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-4-5-14-11-9(12)6-8(2)7-10(11)13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-bromo-3-methoxy-5-methyl-2-propoxybenzene?
1-bromo-3-methoxy-5-methyl-2-propoxybenzene has a molecular weight of 259.14 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxy-5-methyl-2-propoxybenzene is sourced from PubChem (CID 19887974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).