CID 59882690

C23H27F2O7 — CID 59882690

IUPAC—
SMILESCCO[CH]OC1C(OC)[C@H](COc2ccc(F)cc2)OCO[C@H]1COc1ccc(F)cc1
InChIInChI=1S/C23H27F2O7/c1-3-27-14-32-23-21(13-29-19-10-6-17(25)7-11-19)31-15-30-20(22(23)26-2)12-28-18-8-4-16(24)5-9-18/h4-11,14,20-23H,3,12-13,15H2,1-2H3/t20-,21-,22?,23?/m0/s1
InChIKeyRHQGYPISXBHZIA-SIYKVTCMSA-N
MW453.46 g/mol
LogP3.72
Rot. Bonds11

About CID 59882690

CID 59882690 (PubChem CID 59882690) has the molecular formula C23H27F2O7 and a molecular weight of 453.46 g/mol.

Molecular Properties

Compound NameCID 59882690
PubChem CID59882690
Molecular FormulaC23H27F2O7
Molecular Weight453.46 g/mol
Exact Mass453.17
IUPAC Name—
SMILESCCO[CH]OC1C(OC)[C@H](COc2ccc(F)cc2)OCO[C@H]1COc1ccc(F)cc1
InChIInChI=1S/C23H27F2O7/c1-3-27-14-32-23-21(13-29-19-10-6-17(25)7-11-19)31-15-30-20(22(23)26-2)12-28-18-8-4-16(24)5-9-18/h4-11,14,20-23H,3,12-13,15H2,1-2H3/t20-,21-,22?,23?/m0/s1
InChIKeyRHQGYPISXBHZIA-SIYKVTCMSA-N
XLogP3.72
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
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ethyl (5S)-5-[(4-fluorophenoxy)methyl]-2-oxooxolane-3-carboxylate
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ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
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2-[(4-fluorophenoxy)methyl]azetidine
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ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
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CID 90926082

Frequently Asked Questions

What is the IUPAC name of CID 59882690?
The IUPAC name of CID 59882690 (CID 59882690) is not available.
What is the SMILES notation for CID 59882690?
The canonical SMILES for CID 59882690 is CCO[CH]OC1C(OC)[C@H](COc2ccc(F)cc2)OCO[C@H]1COc1ccc(F)cc1.
What is the InChIKey of CID 59882690?
The InChIKey is RHQGYPISXBHZIA-SIYKVTCMSA-N. The full InChI is InChI=1S/C23H27F2O7/c1-3-27-14-32-23-21(13-29-19-10-6-17(25)7-11-19)31-15-30-20(22(23)26-2)12-28-18-8-4-16(24)5-9-18/h4-11,14,20-23H,3,12-13,15H2,1-2H3/t20-,21-,22?,23?/m0/s1.
What are the key properties of CID 59882690?
CID 59882690 has a molecular weight of 453.46 g/mol, XLogP of 3.72, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59882690 is sourced from PubChem (CID 59882690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).