CID 89240141

C25H25BO4 — CID 89240141

IUPAC—
SMILES[B][C@H]1CC(O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O1
InChIInChI=1S/C25H25BO4/c1-28-21-14-12-20(13-15-21)25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)29-17-23-22(27)16-24(26)30-23/h2-15,22-24,27H,16-17H2,1H3/t22?,23-,24-/m1/s1
InChIKeyYYSBEJURSVXIIC-HEYJASKDSA-N
MW400.28 g/mol
LogP3.65
Rot. Bonds7

About CID 89240141

CID 89240141 (PubChem CID 89240141) has the molecular formula C25H25BO4 and a molecular weight of 400.28 g/mol.

Molecular Properties

Compound NameCID 89240141
PubChem CID89240141
Molecular FormulaC25H25BO4
Molecular Weight400.28 g/mol
Exact Mass400.18
IUPAC Name—
SMILES[B][C@H]1CC(O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O1
InChIInChI=1S/C25H25BO4/c1-28-21-14-12-20(13-15-21)25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)29-17-23-22(27)16-24(26)30-23/h2-15,22-24,27H,16-17H2,1H3/t22?,23-,24-/m1/s1
InChIKeyYYSBEJURSVXIIC-HEYJASKDSA-N
XLogP3.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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(5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-3-yloxolan-3-ol
CID 58776111
(2S,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
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S-benzyl (2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolane-2-carbothioate
CID 10603138
(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol
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(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
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CID 10994273
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
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(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(4-iodoimidazol-1-yl)oxolan-3-ol
CID 24773384
(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
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Frequently Asked Questions

What is the IUPAC name of CID 89240141?
The IUPAC name of CID 89240141 (CID 89240141) is not available.
What is the SMILES notation for CID 89240141?
The canonical SMILES for CID 89240141 is [B][C@H]1CC(O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)O1.
What is the InChIKey of CID 89240141?
The InChIKey is YYSBEJURSVXIIC-HEYJASKDSA-N. The full InChI is InChI=1S/C25H25BO4/c1-28-21-14-12-20(13-15-21)25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)29-17-23-22(27)16-24(26)30-23/h2-15,22-24,27H,16-17H2,1H3/t22?,23-,24-/m1/s1.
What are the key properties of CID 89240141?
CID 89240141 has a molecular weight of 400.28 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89240141 is sourced from PubChem (CID 89240141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).