(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane

C10H11BrO2 — CID 142614118

IUPAC(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
SMILESCc1ccc(Br)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C10H11BrO2/c1-7-2-3-9(11)10(4-7)13-6-8-5-12-8/h2-4,8H,5-6H2,1H3/t8-/m0/s1
InChIKeyVSVBRXCTCSGWEW-QMMMGPOBSA-N
MW243.10 g/mol
LogP2.54
Rot. Bonds3

About (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane

(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane (PubChem CID 142614118) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
PubChem CID142614118
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
SMILESCc1ccc(Br)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C10H11BrO2/c1-7-2-3-9(11)10(4-7)13-6-8-5-12-8/h2-4,8H,5-6H2,1H3/t8-/m0/s1
InChIKeyVSVBRXCTCSGWEW-QMMMGPOBSA-N
XLogP2.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302
2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
CID 142614191
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine
CID 142614271
2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine
CID 142614388
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[4-methyl-2-(3-methylphenyl)phenoxy]methyl]oxirane
CID 168860448
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
4-[5-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]morpholine
CID 142614400
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
2-[(3,4-dibromo-5-methylphenoxy)methyl]oxirane
CID 101298514
3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane?
The IUPAC name of (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane (CID 142614118) is (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane.
What is the SMILES notation for (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane?
The canonical SMILES for (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane is Cc1ccc(Br)c(OC[C@@H]2CO2)c1.
What is the InChIKey of (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane?
The InChIKey is VSVBRXCTCSGWEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7-2-3-9(11)10(4-7)13-6-8-5-12-8/h2-4,8H,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane?
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane has a molecular weight of 243.10 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 142614118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).