1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene

C17H17BrO — CID 70944733

IUPAC1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene
SMILESC/C(=C/COc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrO/c1-13-3-9-17(10-4-13)19-12-11-14(2)15-5-7-16(18)8-6-15/h3-11H,12H2,1-2H3/b14-11-
InChIKeyHMOAWXRBNWVJAH-KAMYIIQDSA-N
MW317.23 g/mol
LogP5.24
Rot. Bonds4

About 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene

1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene (PubChem CID 70944733) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene
PubChem CID70944733
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene
SMILESC/C(=C/COc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrO/c1-13-3-9-17(10-4-13)19-12-11-14(2)15-5-7-16(18)8-6-15/h3-11H,12H2,1-2H3/b14-11-
InChIKeyHMOAWXRBNWVJAH-KAMYIIQDSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
(Z)-2-methyl-4-(4-methylphenoxy)but-2-enenitrile
CID 13468551
2-[4-[(E)-3-(4-bromophenyl)-3-(4-methylphenyl)prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 69006421
3-[4-(4-bromophenyl)phenyl]but-2-en-1-amine
CID 54185430
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
(4-bromobenzoyl) 4-methylbenzenecarboperoxoate
CID 163445430
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enoxy]phenoxy]-2-methylpropanoic acid
CID 72772775
1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene
CID 145067539
1-bromo-4-[1-(4-chlorophenyl)-3-(3-methylphenoxy)prop-1-enyl]benzene
CID 141177295
(2R)-2-[4-[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenoxy]propanoic acid
CID 143039243

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene (CID 70944733) is 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene is C/C(=C/COc1ccc(C)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene?
The InChIKey is HMOAWXRBNWVJAH-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H17BrO/c1-13-3-9-17(10-4-13)19-12-11-14(2)15-5-7-16(18)8-6-15/h3-11H,12H2,1-2H3/b14-11-.
What are the key properties of 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene?
1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene has a molecular weight of 317.23 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene is sourced from PubChem (CID 70944733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).