1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene

C19H21BrO — CID 125465285

IUPAC1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
SMILESC/C=C(\c1ccc(OC)cc1)[C@@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrO/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h5-13,18H,4H2,1-3H3/b19-5+/t18-/m0/s1
InChIKeyJSKVRBYFKHYHFC-URJJWMHMSA-N
MW345.28 g/mol
LogP6.05
Rot. Bonds5

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

1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene (PubChem CID 125465285) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
PubChem CID125465285
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
SMILESC/C=C(\c1ccc(OC)cc1)[C@@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrO/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h5-13,18H,4H2,1-3H3/b19-5+/t18-/m0/s1
InChIKeyJSKVRBYFKHYHFC-URJJWMHMSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
CID 155715555
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
3-(4-bromophenyl)-2-(4-methoxyphenyl)-3-oxopropanal
CID 16742886
(4-bromophenyl)methyl 2-(4-bromophenyl)-4-(4-methoxyphenyl)-4-oxobutanoate
CID 102105843
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
1-bromo-4-[4,4-difluoro-3-(4-methoxyphenyl)-1-phenylbut-3-enyl]benzene
CID 168720186
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-bromo-4-(4-bromophenyl)-3-(4-methoxyphenyl)butan-2-one
CID 86650847
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
The IUPAC name of 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene (CID 125465285) is 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
The canonical SMILES for 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene is C/C=C(\c1ccc(OC)cc1)[C@@H](CC)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
The InChIKey is JSKVRBYFKHYHFC-URJJWMHMSA-N. The full InChI is InChI=1S/C19H21BrO/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h5-13,18H,4H2,1-3H3/b19-5+/t18-/m0/s1.
What are the key properties of 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene?
1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene has a molecular weight of 345.28 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene is sourced from PubChem (CID 125465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).