1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene

C12H15BrO — CID 86080523

IUPAC1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene
SMILESC=CCOc1c(Br)cccc1C(C)C
InChIInChI=1S/C12H15BrO/c1-4-8-14-12-10(9(2)3)6-5-7-11(12)13/h4-7,9H,1,8H2,2-3H3
InChIKeyDLSAISDAPXBOSH-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.14
Rot. Bonds4

About 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene

1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene (PubChem CID 86080523) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene
PubChem CID86080523
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene
SMILESC=CCOc1c(Br)cccc1C(C)C
InChIInChI=1S/C12H15BrO/c1-4-8-14-12-10(9(2)3)6-5-7-11(12)13/h4-7,9H,1,8H2,2-3H3
InChIKeyDLSAISDAPXBOSH-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-bromo-3-phenyl-2-prop-2-enoxybenzene
CID 18347636
2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
CID 134985935
2-(4-chlorobut-2-enoxy)-1,3-di(propan-2-yl)benzene
CID 77051114
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
CID 130323975
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
2-bromo-6-prop-2-enoxyphenol
CID 170987480
4-[2,6-di(propan-2-yl)phenoxy]butyl-diethylazanium
CID 2250093
2-bromo-6-propan-2-ylphenol
CID 14663965
1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 22186396

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene?
The IUPAC name of 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene (CID 86080523) is 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene?
The canonical SMILES for 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene is C=CCOc1c(Br)cccc1C(C)C.
What is the InChIKey of 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene?
The InChIKey is DLSAISDAPXBOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-4-8-14-12-10(9(2)3)6-5-7-11(12)13/h4-7,9H,1,8H2,2-3H3.
What are the key properties of 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene?
1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene has a molecular weight of 255.15 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene is sourced from PubChem (CID 86080523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).