[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene

C14H18Br2O — CID 164670390

IUPAC[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
SMILESCCC[C@@H]1[C@H](COCc2ccccc2)C1(Br)Br
InChIInChI=1S/C14H18Br2O/c1-2-6-12-13(14(12,15)16)10-17-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyVVOIDLQZCZFQQQ-OLZOCXBDSA-N
MW362.11 g/mol
LogP4.74
Rot. Bonds6

About [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene

[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene (PubChem CID 164670390) has the molecular formula C14H18Br2O and a molecular weight of 362.11 g/mol. Its IUPAC name is [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene.

Molecular Properties

Compound Name[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
PubChem CID164670390
Molecular FormulaC14H18Br2O
Molecular Weight362.11 g/mol
Exact Mass359.97
IUPAC Name[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene
SMILESCCC[C@@H]1[C@H](COCc2ccccc2)C1(Br)Br
InChIInChI=1S/C14H18Br2O/c1-2-6-12-13(14(12,15)16)10-17-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyVVOIDLQZCZFQQQ-OLZOCXBDSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 54.74
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

3-(phenylmethoxymethyl)-2-propylcycloheptan-1-ol
CID 101018267
2,2-dimethyl-3-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 13457405
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane
CID 10989341
(213C)ethoxymethylbenzene
CID 87947851
[(1S,2R,4S)-3,3-diethoxy-2-fluoro-4-(phenylmethoxymethyl)cyclobutyl]methoxymethylbenzene
CID 67751523
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
ethane;phenylmethoxymethylbenzene
CID 90943549
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
3-phenylmethoxy-2-propylcyclobutane-1,1-dicarboxylic acid
CID 174970929

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene?
The IUPAC name of [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene (CID 164670390) is [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene.
What is the SMILES notation for [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene?
The canonical SMILES for [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene is CCC[C@@H]1[C@H](COCc2ccccc2)C1(Br)Br.
What is the InChIKey of [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene?
The InChIKey is VVOIDLQZCZFQQQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18Br2O/c1-2-6-12-13(14(12,15)16)10-17-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene?
[(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene has a molecular weight of 362.11 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dibromo-3-propylcyclopropyl]methoxymethylbenzene is sourced from PubChem (CID 164670390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).