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MFCD06657663 molecular structure
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(2S)-2-(2-methylphenoxymethyl)oxirane

ChemBase ID: 90079
Molecular Formular: C10H12O2
Molecular Mass: 164.20108
Monoisotopic Mass: 164.08372962
SMILES and InChIs

SMILES:
O(c1c(cccc1)C)C[C@@H]1CO1
Canonical SMILES:
Cc1ccccc1OC[C@@H]1CO1
InChI:
InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1
InChIKey:
KFUSXMDYOPXKKT-VIFPVBQESA-N

Cite this record

CBID:90079 http://www.chembase.cn/molecule-90079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(2-methylphenoxymethyl)oxirane
IUPAC Traditional name
(2S)-2-(2-methylphenoxymethyl)oxirane
Synonyms
(R)-2-(o-Tolyloxymethyl)oxirane
(2R)-2-[(2-Methylphenoxy)methyl]oxirane
MDL Number
MFCD06657663
PubChem SID
162076934
PubChem CID
1715099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR5881 external link Add to cart Please log in.
Data Source Data ID
PubChem 1715099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1702626  LogD (pH = 7.4) 2.1702626 
Log P 2.1702626  Molar Refractivity 46.3071 cm3
Polarizability 18.255482 Å3 Polar Surface Area 21.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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