(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol

C24H34O7 — CID 25146672

IUPAC(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol
SMILESCOCO[C@@H](CCOCc1ccccc1)C[C@@H](O)[C@H](O)[C@H](OCOC)c1ccccc1
InChIInChI=1S/C24H34O7/c1-27-17-30-21(13-14-29-16-19-9-5-3-6-10-19)15-22(25)23(26)24(31-18-28-2)20-11-7-4-8-12-20/h3-12,21-26H,13-18H2,1-2H3/t21-,22+,23-,24+/m0/s1
InChIKeyGBXTYKMXDMOLCZ-UARRHKHWSA-N
MW434.53 g/mol
LogP3.06
Rot. Bonds16

About (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol

(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol (PubChem CID 25146672) has the molecular formula C24H34O7 and a molecular weight of 434.53 g/mol. Its IUPAC name is (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol
PubChem CID25146672
Molecular FormulaC24H34O7
Molecular Weight434.53 g/mol
Exact Mass434.23
IUPAC Name(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol
SMILESCOCO[C@@H](CCOCc1ccccc1)C[C@@H](O)[C@H](O)[C@H](OCOC)c1ccccc1
InChIInChI=1S/C24H34O7/c1-27-17-30-21(13-14-29-16-19-9-5-3-6-10-19)15-22(25)23(26)24(31-18-28-2)20-11-7-4-8-12-20/h3-12,21-26H,13-18H2,1-2H3/t21-,22+,23-,24+/m0/s1
InChIKeyGBXTYKMXDMOLCZ-UARRHKHWSA-N
XLogP3.06
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
(3R,4S,5R)-5-(methoxymethoxy)-5-phenylpentane-1,3,4-triol
CID 134857946
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
[(3R,5R)-5-(methoxymethoxy)-1-phenylmethoxyhept-6-en-3-yl] acetate
CID 50915848
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal
CID 11780450
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
1,4-bis(phenylmethoxy)butan-2-yloxymethanediol
CID 166952138
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol?
The IUPAC name of (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol (CID 25146672) is (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol.
What is the SMILES notation for (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol?
The canonical SMILES for (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol is COCO[C@@H](CCOCc1ccccc1)C[C@@H](O)[C@H](O)[C@H](OCOC)c1ccccc1.
What is the InChIKey of (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol?
The InChIKey is GBXTYKMXDMOLCZ-UARRHKHWSA-N. The full InChI is InChI=1S/C24H34O7/c1-27-17-30-21(13-14-29-16-19-9-5-3-6-10-19)15-22(25)23(26)24(31-18-28-2)20-11-7-4-8-12-20/h3-12,21-26H,13-18H2,1-2H3/t21-,22+,23-,24+/m0/s1.
What are the key properties of (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol?
(1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol has a molecular weight of 434.53 g/mol, XLogP of 3.06, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-1,5-bis(methoxymethoxy)-1-phenyl-7-phenylmethoxyheptane-2,3-diol is sourced from PubChem (CID 25146672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).