1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene

C19H23BrO — CID 125465303

IUPAC1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
SMILESCC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrO/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-19H,4-5H2,1-3H3/t18-,19+/m0/s1
InChIKeyODKQHNZYYXPTQX-RBUKOAKNSA-N
MW347.30 g/mol
LogP6.15
Rot. Bonds6

About 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene

1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene (PubChem CID 125465303) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
PubChem CID125465303
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
SMILESCC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrO/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-19H,4-5H2,1-3H3/t18-,19+/m0/s1
InChIKeyODKQHNZYYXPTQX-RBUKOAKNSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
1-bromo-4-[(Z,3S)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
CID 125465285
1-bromo-4-(4-bromohexan-3-yl)benzene
CID 79307100
1-[(1S,2R,3S)-1,2-diethyl-3-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 124824625
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
lithium;1-bromo-4-methoxybenzene;butane
CID 174553032
1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene
CID 101388569
(2S,3R)-2-ethyl-1,3-bis(4-methoxyphenyl)pentan-1-one
CID 124640163
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene?
The IUPAC name of 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene (CID 125465303) is 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene.
What is the SMILES notation for 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene?
The canonical SMILES for 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene is CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene?
The InChIKey is ODKQHNZYYXPTQX-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23BrO/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-19H,4-5H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene?
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene has a molecular weight of 347.30 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene is sourced from PubChem (CID 125465303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).