chempirical

(1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene

C13H16O2CAS 110567-21-0204.27 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkeneEther

Properties

Molecular formula
C13H16O2
Molar mass
204.27 g/mol
Exact mass
204.1150 Da
logP
2.14Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
110567-21-0
SMILES
C1C=C[C@@H]([C@H]1O)COCC2=CC=CC=C2
InChIKey
WACMQXMZXZTKIV-OLZOCXBDSA-N
InChI
InChI=1S/C13H16O2/c14-13-8-4-7-12(13)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2/t12-,13+/m1/s1

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Names and synonyms

1 names
  • (1S, 2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene

Work with (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Bis(phenylmethoxy)-2-propanol6972-79-853 % similar 3-(Benzyloxy)-1,2-propanediol13071-59-548 % similar (-)-3-Benzyloxy-1,2-propanediol17325-85-848 % similar 3-(Benzyloxy)-1,2-propanediol4799-67-148 % similar 2,3,5-Tris-O-(phenylmethyl)-D-ribose54623-25-547 % similar 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactose53081-25-746 % similar Benzyl (-)-glycidyl ether14618-80-545 % similar (+)-Benzyl glycidyl ether16495-13-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cinnamyl isobutyrate103-59-3 Cinnamyl butyrate103-61-7 1-Phenylcyclohexanecarboxylic acid1135-67-7 4-tert-Butylcinnamic acid1208-65-7 Isobutyl cinnamate122-67-8 Ethenyl 4-(1,1-dimethylethyl)benzoate15484-80-7 2-(3-Methoxyphenyl)cyclohexanone15547-89-4 (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-6

Elsewhere

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