1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid

C20H24O5S — CID 86674672

IUPAC1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(C[C@H](COCc2ccccc2)OCc2ccccc2)CC1
InChIInChI=1S/C20H24O5S/c21-26(22,23)20(11-12-20)13-19(25-15-18-9-5-2-6-10-18)16-24-14-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,22,23)/t19-/m1/s1
InChIKeyWVZQYBQNRPNDSO-LJQANCHMSA-N
MW376.47 g/mol
LogP3.60
Rot. Bonds10

About 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid

1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid (PubChem CID 86674672) has the molecular formula C20H24O5S and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid.

Molecular Properties

Compound Name1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid
PubChem CID86674672
Molecular FormulaC20H24O5S
Molecular Weight376.47 g/mol
Exact Mass376.13
IUPAC Name1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid
SMILESO=S(=O)(O)C1(C[C@H](COCc2ccccc2)OCc2ccccc2)CC1
InChIInChI=1S/C20H24O5S/c21-26(22,23)20(11-12-20)13-19(25-15-18-9-5-2-6-10-18)16-24-14-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,22,23)/t19-/m1/s1
InChIKeyWVZQYBQNRPNDSO-LJQANCHMSA-N
XLogP3.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonate
CID 86674673
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
CID 79425525
3-benzyl-4-phenyl-1-phenylmethoxybutane-2-sulfonic acid
CID 174474202
4-(2-hydroxy-3-phenylmethoxypropyl)oxane-4-carboxylic acid
CID 79422847
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]amino]ethyl hydrogen sulfate
CID 59382834
benzyl hydrogen sulfate
CID 20818
2-phenylmethoxyethane-1,1-diol
CID 59866645
3-ethoxy-2-phenylmethoxypropan-1-ol
CID 154048431

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid?
The IUPAC name of 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid (CID 86674672) is 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid.
What is the SMILES notation for 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid?
The canonical SMILES for 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid is O=S(=O)(O)C1(C[C@H](COCc2ccccc2)OCc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid?
The InChIKey is WVZQYBQNRPNDSO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24O5S/c21-26(22,23)20(11-12-20)13-19(25-15-18-9-5-2-6-10-18)16-24-14-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,22,23)/t19-/m1/s1.
What are the key properties of 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid?
1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid has a molecular weight of 376.47 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonic acid is sourced from PubChem (CID 86674672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).