1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene

C16H15BrClFO2 — CID 19375793

IUPAC1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene
SMILESCOc1cc(OCCCCl)c(Br)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15BrClFO2/c1-20-15-10-16(21-8-2-7-18)14(17)9-13(15)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyGISXVFZKGOMFMI-UHFFFAOYSA-N
MW373.65 g/mol
LogP5.27
Rot. Bonds6

About 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene

1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene (PubChem CID 19375793) has the molecular formula C16H15BrClFO2 and a molecular weight of 373.65 g/mol. Its IUPAC name is 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene
PubChem CID19375793
Molecular FormulaC16H15BrClFO2
Molecular Weight373.65 g/mol
Exact Mass371.99
IUPAC Name1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene
SMILESCOc1cc(OCCCCl)c(Br)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H15BrClFO2/c1-20-15-10-16(21-8-2-7-18)14(17)9-13(15)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyGISXVFZKGOMFMI-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
CID 91038963
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
1-bromo-4-butoxy-6-methoxy-7-(4-methoxyphenyl)naphthalene
CID 121321443
3-[2-[3-[2-bromo-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanoic acid
CID 19375837
4-[4-(4-aminophenyl)-2,5-bis(2-methoxyethoxy)phenyl]aniline;1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene
CID 159188403
1-(3-chloropropoxy)-2-methoxy-4-phenylbenzene
CID 173335600
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene?
The IUPAC name of 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene (CID 19375793) is 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene is COc1cc(OCCCCl)c(Br)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene?
The InChIKey is GISXVFZKGOMFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO2/c1-20-15-10-16(21-8-2-7-18)14(17)9-13(15)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene?
1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene has a molecular weight of 373.65 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-chloropropoxy)-5-(4-fluorophenyl)-4-methoxybenzene is sourced from PubChem (CID 19375793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).