4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene

C16H15BrO — CID 134396698

IUPAC4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(Oc2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H15BrO/c1-11(2)16-9-8-15(10-12(16)3)18-14-6-4-13(17)5-7-14/h4-10H,1H2,2-3H3
InChIKeyJEGARLNQJLPIFJ-UHFFFAOYSA-N
MW303.20 g/mol
LogP5.58
Rot. Bonds3

About 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene

4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene (PubChem CID 134396698) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
PubChem CID134396698
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(Oc2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H15BrO/c1-11(2)16-9-8-15(10-12(16)3)18-14-6-4-13(17)5-7-14/h4-10H,1H2,2-3H3
InChIKeyJEGARLNQJLPIFJ-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.20
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
(3-methyl-4-prop-1-en-2-ylphenyl) acetate
CID 21189087
trimethyl-(3-methyl-4-prop-1-en-2-ylphenoxy)silane
CID 19882747
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline
CID 67808064
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
methyl 2-[4-(4-chlorophenoxy)-2-methylphenyl]prop-2-enoate
CID 142588747

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene?
The IUPAC name of 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene (CID 134396698) is 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(Oc2ccc(Br)cc2)cc1C.
What is the InChIKey of 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene?
The InChIKey is JEGARLNQJLPIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-11(2)16-9-8-15(10-12(16)3)18-14-6-4-13(17)5-7-14/h4-10H,1H2,2-3H3.
What are the key properties of 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene?
4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene has a molecular weight of 303.20 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 134396698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).