1-bromo-3-fluoro-2-methoxy-4-propylbenzene

C10H12BrFO — CID 141230116

IUPAC1-bromo-3-fluoro-2-methoxy-4-propylbenzene
SMILESCCCc1ccc(Br)c(OC)c1F
InChIInChI=1S/C10H12BrFO/c1-3-4-7-5-6-8(11)10(13-2)9(7)12/h5-6H,3-4H2,1-2H3
InChIKeyBUAOFWNQRBFCKM-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.55
Rot. Bonds3

About 1-bromo-3-fluoro-2-methoxy-4-propylbenzene

1-bromo-3-fluoro-2-methoxy-4-propylbenzene (PubChem CID 141230116) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-methoxy-4-propylbenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-methoxy-4-propylbenzene
PubChem CID141230116
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-bromo-3-fluoro-2-methoxy-4-propylbenzene
SMILESCCCc1ccc(Br)c(OC)c1F
InChIInChI=1S/C10H12BrFO/c1-3-4-7-5-6-8(11)10(13-2)9(7)12/h5-6H,3-4H2,1-2H3
InChIKeyBUAOFWNQRBFCKM-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
4-bromo-N,N,3-trifluoro-2-methoxyaniline
CID 174352734
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
1-bromo-4-(chloromethyl)-3-iodo-2-methoxybenzene
CID 171010289
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
2,3-difluoro-4-propylphenol
CID 14495704
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
1-methoxy-2-propylnaphthalene
CID 19091368
[3-[2-(3-acetamido-2-methoxy-4-pyridinyl)ethyl]-6-bromo-2-fluorophenyl] acetate
CID 163714330

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-methoxy-4-propylbenzene?
The IUPAC name of 1-bromo-3-fluoro-2-methoxy-4-propylbenzene (CID 141230116) is 1-bromo-3-fluoro-2-methoxy-4-propylbenzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-methoxy-4-propylbenzene?
The canonical SMILES for 1-bromo-3-fluoro-2-methoxy-4-propylbenzene is CCCc1ccc(Br)c(OC)c1F.
What is the InChIKey of 1-bromo-3-fluoro-2-methoxy-4-propylbenzene?
The InChIKey is BUAOFWNQRBFCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-3-4-7-5-6-8(11)10(13-2)9(7)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-bromo-3-fluoro-2-methoxy-4-propylbenzene?
1-bromo-3-fluoro-2-methoxy-4-propylbenzene has a molecular weight of 247.11 g/mol, XLogP of 3.55, 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-methoxy-4-propylbenzene is sourced from PubChem (CID 141230116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).