[(1R)-1-bromo-3-methoxypropyl]benzene

C10H13BrO — CID 129389905

IUPAC[(1R)-1-bromo-3-methoxypropyl]benzene
SMILESCOCC[C@@H](Br)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyDHWIXXSQKOBTET-SNVBAGLBSA-N
MW229.12 g/mol
LogP3.16
Rot. Bonds4

About [(1R)-1-bromo-3-methoxypropyl]benzene

[(1R)-1-bromo-3-methoxypropyl]benzene (PubChem CID 129389905) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is [(1R)-1-bromo-3-methoxypropyl]benzene.

Molecular Properties

Compound Name[(1R)-1-bromo-3-methoxypropyl]benzene
PubChem CID129389905
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name[(1R)-1-bromo-3-methoxypropyl]benzene
SMILESCOCC[C@@H](Br)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyDHWIXXSQKOBTET-SNVBAGLBSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.16
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

(1-bromo-6-methoxyhexyl)benzene
CID 64508790
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
[disulfanyl(2-methoxyethoxy)methyl]benzene
CID 169266933
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889
1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
CID 116751519
N-(2,2-diphenylethyl)-4-methoxybutan-2-amine
CID 103746904
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
3-bromo-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 68510554
1-bromohex-5-enylbenzene
CID 13296849
5-bromo-5-phenylpentan-2-one
CID 70081529

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-bromo-3-methoxypropyl]benzene?
The IUPAC name of [(1R)-1-bromo-3-methoxypropyl]benzene (CID 129389905) is [(1R)-1-bromo-3-methoxypropyl]benzene.
What is the SMILES notation for [(1R)-1-bromo-3-methoxypropyl]benzene?
The canonical SMILES for [(1R)-1-bromo-3-methoxypropyl]benzene is COCC[C@@H](Br)c1ccccc1.
What is the InChIKey of [(1R)-1-bromo-3-methoxypropyl]benzene?
The InChIKey is DHWIXXSQKOBTET-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13BrO/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of [(1R)-1-bromo-3-methoxypropyl]benzene?
[(1R)-1-bromo-3-methoxypropyl]benzene has a molecular weight of 229.12 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-bromo-3-methoxypropyl]benzene is sourced from PubChem (CID 129389905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).