1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene

C10H12Br2O — CID 101388569

IUPAC1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene
SMILESCOc1ccc([C@@H](Br)[C@H](C)Br)cc1
InChIInChI=1S/C10H12Br2O/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10H,1-2H3/t7-,10-/m0/s1
InChIKeyYBNDQTKOLHGZOP-XVKPBYJWSA-N
MW308.01 g/mol
LogP3.91
Rot. Bonds3

About 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene

1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene (PubChem CID 101388569) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene
PubChem CID101388569
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene
SMILESCOc1ccc([C@@H](Br)[C@H](C)Br)cc1
InChIInChI=1S/C10H12Br2O/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10H,1-2H3/t7-,10-/m0/s1
InChIKeyYBNDQTKOLHGZOP-XVKPBYJWSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
CID 125465303
4-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)propyl]-1,2-dimethoxybenzene
CID 134940292
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
CID 175713586
CID 175713586
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
(4-methoxyphenyl)methanedithiol
CID 19893185
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene?
The IUPAC name of 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene (CID 101388569) is 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene?
The canonical SMILES for 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene is COc1ccc([C@@H](Br)[C@H](C)Br)cc1.
What is the InChIKey of 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene?
The InChIKey is YBNDQTKOLHGZOP-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10H,1-2H3/t7-,10-/m0/s1.
What are the key properties of 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene?
1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene has a molecular weight of 308.01 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene is sourced from PubChem (CID 101388569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).