(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol

C17H24O3 — CID 130262553

IUPAC(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@H]1O[C@@H]([C@@H](CC)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C17H24O3/c1-3-8-16-14(18)11-17(20-16)15(4-2)19-12-13-9-6-5-7-10-13/h3,5-7,9-10,14-18H,1,4,8,11-12H2,2H3/t14-,15-,16-,17-/m1/s1
InChIKeyISDHGHVMRUJZGU-QBPKDAKJSA-N
MW276.38 g/mol
LogP3.08
Rot. Bonds7

About (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol

(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol (PubChem CID 130262553) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol
PubChem CID130262553
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@H]1O[C@@H]([C@@H](CC)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C17H24O3/c1-3-8-16-14(18)11-17(20-16)15(4-2)19-12-13-9-6-5-7-10-13/h3,5-7,9-10,14-18H,1,4,8,11-12H2,2H3/t14-,15-,16-,17-/m1/s1
InChIKeyISDHGHVMRUJZGU-QBPKDAKJSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol
CID 130262414
(2S,3S,6S,8S,9S,10S)-3,9-dimethyl-2-[(2R)-2-phenylmethoxybutyl]-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 102532493
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231
(2S,3R,5S)-2-methoxy-5-[(1R)-2-nitro-1-phenylmethoxyethyl]oxolan-3-ol
CID 102365722
(1R,3R)-1-[(2R,5R)-5-[(1R)-1-phenylmethoxyundecyl]oxolan-2-yl]pent-4-ene-1,3-diol
CID 16756044
[(Z,1S)-5-hydroxy-1-[(2R,7R)-7-[(1S)-1-phenylmethoxypropyl]-2,3,6,7-tetrahydrooxepin-2-yl]pent-3-enyl] acetate
CID 11452052
(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol
CID 44514537
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(4S,6R,7R)-7-[(2S,5R)-5-methyloxolan-2-yl]-6-phenylmethoxyoct-1-en-4-ol
CID 12003745
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol (CID 130262553) is (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol is C=CC[C@H]1O[C@@H]([C@@H](CC)OCc2ccccc2)C[C@H]1O.
What is the InChIKey of (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol?
The InChIKey is ISDHGHVMRUJZGU-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-8-16-14(18)11-17(20-16)15(4-2)19-12-13-9-6-5-7-10-13/h3,5-7,9-10,14-18H,1,4,8,11-12H2,2H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol?
(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol has a molecular weight of 276.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 130262553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).