4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene

C14H19BrO — CID 22568948

IUPAC4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene
SMILESCCc1cc(Br)ccc1C1(OC(C)C)CC1
InChIInChI=1S/C14H19BrO/c1-4-11-9-12(15)5-6-13(11)14(7-8-14)16-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyDJJGPJCJUKYUDS-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.43
Rot. Bonds4

About 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene

4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene (PubChem CID 22568948) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene
PubChem CID22568948
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene
SMILESCCc1cc(Br)ccc1C1(OC(C)C)CC1
InChIInChI=1S/C14H19BrO/c1-4-11-9-12(15)5-6-13(11)14(7-8-14)16-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyDJJGPJCJUKYUDS-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene?
The IUPAC name of 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene (CID 22568948) is 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene.
What is the SMILES notation for 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene?
The canonical SMILES for 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene is CCc1cc(Br)ccc1C1(OC(C)C)CC1.
What is the InChIKey of 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene?
The InChIKey is DJJGPJCJUKYUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-4-11-9-12(15)5-6-13(11)14(7-8-14)16-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene?
4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene has a molecular weight of 283.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-(1-propan-2-yloxycyclopropyl)benzene is sourced from PubChem (CID 22568948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).