(2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine

C24H23ClO4 — CID 18635769

IUPAC(2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
SMILESClc1cccc2c1O[C@H](COCc1ccccc1)[C@@H](COCc1ccccc1)O2
InChIInChI=1S/C24H23ClO4/c25-20-12-7-13-21-24(20)29-23(17-27-15-19-10-5-2-6-11-19)22(28-21)16-26-14-18-8-3-1-4-9-18/h1-13,22-23H,14-17H2/t22-,23-/m1/s1
InChIKeyNZHMSHQCPZOXHT-DHIUTWEWSA-N
MW410.90 g/mol
LogP5.28
Rot. Bonds8

About (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine

(2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 18635769) has the molecular formula C24H23ClO4 and a molecular weight of 410.90 g/mol. Its IUPAC name is (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name(2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID18635769
Molecular FormulaC24H23ClO4
Molecular Weight410.90 g/mol
Exact Mass410.13
IUPAC Name(2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
SMILESClc1cccc2c1O[C@H](COCc1ccccc1)[C@@H](COCc1ccccc1)O2
InChIInChI=1S/C24H23ClO4/c25-20-12-7-13-21-24(20)29-23(17-27-15-19-10-5-2-6-11-19)22(28-21)16-26-14-18-8-3-1-4-9-18/h1-13,22-23H,14-17H2/t22-,23-/m1/s1
InChIKeyNZHMSHQCPZOXHT-DHIUTWEWSA-N
XLogP5.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7R,8R)-7,8-bis(phenylmethoxymethyl)-6,9,15-trioxatetracyclo[8.6.2.05,17.014,18]octadeca-1(17),2,4,10,12,14(18)-hexaen-16-one
CID 10601266
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
N-ethyl-N-[[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl]ethanamine
CID 101140300
(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53253826
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(2R,5R)-2-chloro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 154723148
3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 142842432
(2R)-4-chloro-5-fluoro-2-(phenylmethoxymethyl)-2,3-dihydrofuran
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine (CID 18635769) is (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine is Clc1cccc2c1O[C@H](COCc1ccccc1)[C@@H](COCc1ccccc1)O2.
What is the InChIKey of (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is NZHMSHQCPZOXHT-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H23ClO4/c25-20-12-7-13-21-24(20)29-23(17-27-15-19-10-5-2-6-11-19)22(28-21)16-26-14-18-8-3-1-4-9-18/h1-13,22-23H,14-17H2/t22-,23-/m1/s1.
What are the key properties of (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine?
(2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 410.90 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-chloro-2,3-bis(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 18635769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).