2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene

C14H17BrO2 — CID 176513489

IUPAC2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene
SMILESC=Cc1ccc(OC)c(OCC2CCC2)c1Br
InChIInChI=1S/C14H17BrO2/c1-3-11-7-8-12(16-2)14(13(11)15)17-9-10-5-4-6-10/h3,7-8,10H,1,4-6,9H2,2H3
InChIKeyWBBQGULRKMLNIY-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.28
Rot. Bonds5

About 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene

2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene (PubChem CID 176513489) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene
PubChem CID176513489
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene
SMILESC=Cc1ccc(OC)c(OCC2CCC2)c1Br
InChIInChI=1S/C14H17BrO2/c1-3-11-7-8-12(16-2)14(13(11)15)17-9-10-5-4-6-10/h3,7-8,10H,1,4-6,9H2,2H3
InChIKeyWBBQGULRKMLNIY-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
CID 10267307
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1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine
CID 117497231
6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzonitrile
CID 117453043
6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzoic acid
CID 117484659
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
2-bromo-4-methoxy-3-prop-2-ynoxybenzaldehyde
CID 167723081
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene?
The IUPAC name of 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene (CID 176513489) is 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene.
What is the SMILES notation for 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene?
The canonical SMILES for 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene is C=Cc1ccc(OC)c(OCC2CCC2)c1Br.
What is the InChIKey of 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene?
The InChIKey is WBBQGULRKMLNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-3-11-7-8-12(16-2)14(13(11)15)17-9-10-5-4-6-10/h3,7-8,10H,1,4-6,9H2,2H3.
What are the key properties of 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene?
2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene has a molecular weight of 297.19 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene is sourced from PubChem (CID 176513489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).