1-bromo-3-fluoro-2-methyl-4-propoxybenzene

C10H12BrFO — CID 146811600

IUPAC1-bromo-3-fluoro-2-methyl-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(C)c1F
InChIInChI=1S/C10H12BrFO/c1-3-6-13-9-5-4-8(11)7(2)10(9)12/h4-5H,3,6H2,1-2H3
InChIKeySAEAJJROWQUKIH-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.69
Rot. Bonds3

About 1-bromo-3-fluoro-2-methyl-4-propoxybenzene

1-bromo-3-fluoro-2-methyl-4-propoxybenzene (PubChem CID 146811600) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-methyl-4-propoxybenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-methyl-4-propoxybenzene
PubChem CID146811600
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-bromo-3-fluoro-2-methyl-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(C)c1F
InChIInChI=1S/C10H12BrFO/c1-3-6-13-9-5-4-8(11)7(2)10(9)12/h4-5H,3,6H2,1-2H3
InChIKeySAEAJJROWQUKIH-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-fluoro-3-methylsulfanyl-4-propoxybenzene
CID 164893480
1,2,3-tribromo-4-propoxybenzene
CID 70578874
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
CID 162113743
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
(2,6-difluoro-3-propoxyphenyl)methanol
CID 163198202
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
2,3-difluoro-1-propoxy-4-[(4-propylphenyl)methoxy]benzene
CID 145339803
2-(4-bromo-2,3-dimethylphenoxy)-N-ethylethanamine
CID 39290016
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-methyl-4-propoxybenzene?
The IUPAC name of 1-bromo-3-fluoro-2-methyl-4-propoxybenzene (CID 146811600) is 1-bromo-3-fluoro-2-methyl-4-propoxybenzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-methyl-4-propoxybenzene?
The canonical SMILES for 1-bromo-3-fluoro-2-methyl-4-propoxybenzene is CCCOc1ccc(Br)c(C)c1F.
What is the InChIKey of 1-bromo-3-fluoro-2-methyl-4-propoxybenzene?
The InChIKey is SAEAJJROWQUKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-3-6-13-9-5-4-8(11)7(2)10(9)12/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-bromo-3-fluoro-2-methyl-4-propoxybenzene?
1-bromo-3-fluoro-2-methyl-4-propoxybenzene has a molecular weight of 247.11 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-methyl-4-propoxybenzene is sourced from PubChem (CID 146811600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).