(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol

C14H19ClO4 — CID 154202641

IUPAC(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol
SMILESCC[C@H]1OC(OC)[C@H](O)[C@H]1OCc1ccccc1Cl
InChIInChI=1S/C14H19ClO4/c1-3-11-13(12(16)14(17-2)19-11)18-8-9-6-4-5-7-10(9)15/h4-7,11-14,16H,3,8H2,1-2H3/t11-,12-,13+,14?/m1/s1
InChIKeyZBVAWEWONCVLMX-HABKJSAYSA-N
MW286.75 g/mol
LogP2.37
Rot. Bonds5

About (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol

(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol (PubChem CID 154202641) has the molecular formula C14H19ClO4 and a molecular weight of 286.75 g/mol. Its IUPAC name is (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol
PubChem CID154202641
Molecular FormulaC14H19ClO4
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol
SMILESCC[C@H]1OC(OC)[C@H](O)[C@H]1OCc1ccccc1Cl
InChIInChI=1S/C14H19ClO4/c1-3-11-13(12(16)14(17-2)19-11)18-8-9-6-4-5-7-10(9)15/h4-7,11-14,16H,3,8H2,1-2H3/t11-,12-,13+,14?/m1/s1
InChIKeyZBVAWEWONCVLMX-HABKJSAYSA-N
XLogP2.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane
CID 15389967
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol
CID 154241138
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
(2R,3R,4R,5R,6R)-6-[(4-chlorophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 22956578
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
(2R,3S,3aS,9bR)-5-(bromomethyl)-3-[(2-chlorophenyl)methoxy]-2-ethyl-5-methyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromene
CID 139703774
3-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxymethyl]chromen-2-one
CID 118707323
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol?
The IUPAC name of (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol (CID 154202641) is (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol.
What is the SMILES notation for (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol?
The canonical SMILES for (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol is CC[C@H]1OC(OC)[C@H](O)[C@H]1OCc1ccccc1Cl.
What is the InChIKey of (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol?
The InChIKey is ZBVAWEWONCVLMX-HABKJSAYSA-N. The full InChI is InChI=1S/C14H19ClO4/c1-3-11-13(12(16)14(17-2)19-11)18-8-9-6-4-5-7-10(9)15/h4-7,11-14,16H,3,8H2,1-2H3/t11-,12-,13+,14?/m1/s1.
What are the key properties of (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol?
(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol has a molecular weight of 286.75 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol is sourced from PubChem (CID 154202641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).