1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene

C20H23BrO2 — CID 155715555

IUPAC1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
SMILESC/C=C(\c1ccc(OC)cc1)C(CC)c1cc(Br)cc(OC)c1
InChIInChI=1S/C20H23BrO2/c1-5-19(14-7-9-17(22-3)10-8-14)20(6-2)15-11-16(21)13-18(12-15)23-4/h5,7-13,20H,6H2,1-4H3/b19-5+
InChIKeyLZKZIUPOYDPZRW-PTXOJBNSSA-N
MW375.31 g/mol
LogP6.06
Rot. Bonds6

About 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene

1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene (PubChem CID 155715555) has the molecular formula C20H23BrO2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene.

Molecular Properties

Compound Name1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
PubChem CID155715555
Molecular FormulaC20H23BrO2
Molecular Weight375.31 g/mol
Exact Mass374.09
IUPAC Name1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
SMILESC/C=C(\c1ccc(OC)cc1)C(CC)c1cc(Br)cc(OC)c1
InChIInChI=1S/C20H23BrO2/c1-5-19(14-7-9-17(22-3)10-8-14)20(6-2)15-11-16(21)13-18(12-15)23-4/h5,7-13,20H,6H2,1-4H3/b19-5+
InChIKeyLZKZIUPOYDPZRW-PTXOJBNSSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
CID 125465285
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
CID 125465303
(Z)-12,13-bis(4-methoxyphenyl)pentadec-11-enoic acid
CID 18955970
(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol
CID 162410653
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-bromo-3-hexan-2-yl-5-methoxybenzene
CID 54002758
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 113460969
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
4-[1-(3-bromo-5-methoxyanilino)propyl]phenol
CID 82857921
1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107980644
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
The IUPAC name of 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene (CID 155715555) is 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene.
What is the SMILES notation for 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
The canonical SMILES for 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene is C/C=C(\c1ccc(OC)cc1)C(CC)c1cc(Br)cc(OC)c1.
What is the InChIKey of 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
The InChIKey is LZKZIUPOYDPZRW-PTXOJBNSSA-N. The full InChI is InChI=1S/C20H23BrO2/c1-5-19(14-7-9-17(22-3)10-8-14)20(6-2)15-11-16(21)13-18(12-15)23-4/h5,7-13,20H,6H2,1-4H3/b19-5+.
What are the key properties of 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene has a molecular weight of 375.31 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene is sourced from PubChem (CID 155715555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).