Home > Compound List > Compound details
87037-69-2 molecular structure
click picture or here to close

(2R)-2-(benzyloxy)propan-1-ol

ChemBase ID: 125061
Molecular Formular: C10H14O2
Molecular Mass: 166.21696
Monoisotopic Mass: 166.09937969
SMILES and InChIs

SMILES:
O([C@H](C)CO)Cc1ccccc1
Canonical SMILES:
OC[C@H](OCc1ccccc1)C
InChI:
InChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m1/s1
InChIKey:
BWCRDMRLKBPUTD-SECBINFHSA-N

Cite this record

CBID:125061 http://www.chembase.cn/molecule-125061.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-(benzyloxy)propan-1-ol
IUPAC Traditional name
(2R)-2-(benzyloxy)propan-1-ol
Synonyms
(R)-2-Benzyloxy-1-propanol
R-2-O-苄基-1-丙醇
CAS Number
87037-69-2
PubChem SID
162219411
PubChem CID
11423784

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Shanghai Lingjing
120 external link Add to cart Please log in.
Data Source Data ID
PubChem 11423784 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.685602  H Acceptors
H Donor LogD (pH = 5.5) 1.5754956 
LogD (pH = 7.4) 1.5754956  Log P 1.5754956 
Molar Refractivity 48.3362 cm3 Polarizability 19.000443 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
浅黄色液体 expand Show data source
Optical Rotation
-45.4°(c = 1, chloroform) expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle