2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene

C18H15BrClFO — CID 21112897

IUPAC2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2ccc(Cl)cc2C2=C(Br)CCC2)cc1
InChIInChI=1S/C18H15BrClFO/c19-17-3-1-2-15(17)16-10-13(20)6-9-18(16)22-11-12-4-7-14(21)8-5-12/h4-10H,1-3,11H2
InChIKeyIPYNBIYUPBGMQU-UHFFFAOYSA-N
MW381.67 g/mol
LogP6.35
Rot. Bonds4

About 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene

2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene (PubChem CID 21112897) has the molecular formula C18H15BrClFO and a molecular weight of 381.67 g/mol. Its IUPAC name is 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene
PubChem CID21112897
Molecular FormulaC18H15BrClFO
Molecular Weight381.67 g/mol
Exact Mass380.00
IUPAC Name2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2ccc(Cl)cc2C2=C(Br)CCC2)cc1
InChIInChI=1S/C18H15BrClFO/c19-17-3-1-2-15(17)16-10-13(20)6-9-18(16)22-11-12-4-7-14(21)8-5-12/h4-10H,1-3,11H2
InChIKeyIPYNBIYUPBGMQU-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.67
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene (CID 21112897) is 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2ccc(Cl)cc2C2=C(Br)CCC2)cc1.
What is the InChIKey of 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is IPYNBIYUPBGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFO/c19-17-3-1-2-15(17)16-10-13(20)6-9-18(16)22-11-12-4-7-14(21)8-5-12/h4-10H,1-3,11H2.
What are the key properties of 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene?
2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 381.67 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclopenten-1-yl)-4-chloro-1-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 21112897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).