1-bromo-4-(3-propylcyclopentyl)oxybenzene

C14H19BrO — CID 141355711

IUPAC1-bromo-4-(3-propylcyclopentyl)oxybenzene
SMILESCCCC1CCC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrO/c1-2-3-11-4-7-14(10-11)16-13-8-5-12(15)6-9-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3
InChIKeyYXXNHDUMYPMWSE-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.80
Rot. Bonds4

About 1-bromo-4-(3-propylcyclopentyl)oxybenzene

1-bromo-4-(3-propylcyclopentyl)oxybenzene (PubChem CID 141355711) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-bromo-4-(3-propylcyclopentyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-4-(3-propylcyclopentyl)oxybenzene
PubChem CID141355711
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-bromo-4-(3-propylcyclopentyl)oxybenzene
SMILESCCCC1CCC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrO/c1-2-3-11-4-7-14(10-11)16-13-8-5-12(15)6-9-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3
InChIKeyYXXNHDUMYPMWSE-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-propylcyclopentyl)oxybenzene?
The IUPAC name of 1-bromo-4-(3-propylcyclopentyl)oxybenzene (CID 141355711) is 1-bromo-4-(3-propylcyclopentyl)oxybenzene.
What is the SMILES notation for 1-bromo-4-(3-propylcyclopentyl)oxybenzene?
The canonical SMILES for 1-bromo-4-(3-propylcyclopentyl)oxybenzene is CCCC1CCC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-(3-propylcyclopentyl)oxybenzene?
The InChIKey is YXXNHDUMYPMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-2-3-11-4-7-14(10-11)16-13-8-5-12(15)6-9-13/h5-6,8-9,11,14H,2-4,7,10H2,1H3.
What are the key properties of 1-bromo-4-(3-propylcyclopentyl)oxybenzene?
1-bromo-4-(3-propylcyclopentyl)oxybenzene has a molecular weight of 283.21 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-propylcyclopentyl)oxybenzene is sourced from PubChem (CID 141355711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).