4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene

C18H20BrFO — CID 23352449

IUPAC4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
SMILESCCc1cc(C(C)C)c(Br)c(-c2ccc(F)cc2)c1OC
InChIInChI=1S/C18H20BrFO/c1-5-12-10-15(11(2)3)17(19)16(18(12)21-4)13-6-8-14(20)9-7-13/h6-11H,5H2,1-4H3
InChIKeyACHMVPVBQKQPJW-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.95
Rot. Bonds4

About 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene

4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene (PubChem CID 23352449) has the molecular formula C18H20BrFO and a molecular weight of 351.26 g/mol. Its IUPAC name is 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
PubChem CID23352449
Molecular FormulaC18H20BrFO
Molecular Weight351.26 g/mol
Exact Mass350.07
IUPAC Name4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
SMILESCCc1cc(C(C)C)c(Br)c(-c2ccc(F)cc2)c1OC
InChIInChI=1S/C18H20BrFO/c1-5-12-10-15(11(2)3)17(19)16(18(12)21-4)13-6-8-14(20)9-7-13/h6-11H,5H2,1-4H3
InChIKeyACHMVPVBQKQPJW-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23242774
CID 2801388
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CID 2801787
CID 2801787
CID 76325148
CID 76325148
CID 76332395
CID 76332395
CID 167296284
CID 167296284
CID 15864791
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CID 16059702
CID 16059702

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
The IUPAC name of 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene (CID 23352449) is 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
The canonical SMILES for 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene is CCc1cc(C(C)C)c(Br)c(-c2ccc(F)cc2)c1OC.
What is the InChIKey of 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
The InChIKey is ACHMVPVBQKQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO/c1-5-12-10-15(11(2)3)17(19)16(18(12)21-4)13-6-8-14(20)9-7-13/h6-11H,5H2,1-4H3.
What are the key properties of 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene?
4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene has a molecular weight of 351.26 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 23352449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).