2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene

C12H15BrO2 — CID 118316335

IUPAC2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
SMILESC=CC[C@H](C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C12H15BrO2/c1-4-5-9(2)15-12-7-6-10(14-3)8-11(12)13/h4,6-9H,1,5H2,2-3H3/t9-/m0/s1
InChIKeyMZKVMYCVCLESMJ-VIFPVBQESA-N
MW271.15 g/mol
LogP3.80
Rot. Bonds5

About 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene

2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene (PubChem CID 118316335) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
PubChem CID118316335
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
SMILESC=CC[C@H](C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C12H15BrO2/c1-4-5-9(2)15-12-7-6-10(14-3)8-11(12)13/h4,6-9H,1,5H2,2-3H3/t9-/m0/s1
InChIKeyMZKVMYCVCLESMJ-VIFPVBQESA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methoxy-1-pent-4-en-2-yloxybenzene
CID 118325435
2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
CID 118325440
4-bromo-2-ethenyl-1-pent-4-en-2-yloxybenzene
CID 130287639
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
CID 104706737
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
2-bromo-4-methoxy-1-(propan-2-ylsulfanylmethyl)benzene
CID 117221433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene?
The IUPAC name of 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene (CID 118316335) is 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene?
The canonical SMILES for 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene is C=CC[C@H](C)Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene?
The InChIKey is MZKVMYCVCLESMJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrO2/c1-4-5-9(2)15-12-7-6-10(14-3)8-11(12)13/h4,6-9H,1,5H2,2-3H3/t9-/m0/s1.
What are the key properties of 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene?
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene has a molecular weight of 271.15 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene is sourced from PubChem (CID 118316335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).