(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol

C50H51NO6 — CID 67468679

IUPAC(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol
SMILESOC(c1ccc(C2CC2)cc1)c1ccncc1OC1CC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C50H51NO6/c52-47(42-25-23-41(24-26-42)40-21-22-40)44-27-28-51-30-46(44)57-45-29-43(35-53-31-36-13-5-1-6-14-36)48(54-32-37-15-7-2-8-16-37)50(56-34-39-19-11-4-12-20-39)49(45)55-33-38-17-9-3-10-18-38/h1-20,23-28,30,40,43,45,47-50,52H,21-22,29,31-35H2
InChIKeyQLPOTFIDIODYNN-UHFFFAOYSA-N
MW761.96 g/mol
LogP9.78
Rot. Bonds18

About (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol

(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol (PubChem CID 67468679) has the molecular formula C50H51NO6 and a molecular weight of 761.96 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol
PubChem CID67468679
Molecular FormulaC50H51NO6
Molecular Weight761.96 g/mol
Exact Mass761.37
IUPAC Name(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol
SMILESOC(c1ccc(C2CC2)cc1)c1ccncc1OC1CC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C50H51NO6/c52-47(42-25-23-41(24-26-42)40-21-22-40)44-27-28-51-30-46(44)57-45-29-43(35-53-31-36-13-5-1-6-14-36)48(54-32-37-15-7-2-8-16-37)50(56-34-39-19-11-4-12-20-39)49(45)55-33-38-17-9-3-10-18-38/h1-20,23-28,30,40,43,45,47-50,52H,21-22,29,31-35H2
InChIKeyQLPOTFIDIODYNN-UHFFFAOYSA-N
XLogP9.78
TPSA79.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.96
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol with MolForge

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Related Compounds

4-[chloro-(4-cyclopropylphenyl)methyl]-3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxypyridine
CID 67460223
4-(4-cyclopropylphenyl)-3-[(1R,2S,3R,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxypyridine
CID 67459523
CID 148610359
CID 148610359
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
(1R,2S,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 134930284
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
[(1S,2S,3S,5R,6R)-3-azido-2,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxymethylbenzene
CID 10507155
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
CID 11228060

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol?
The IUPAC name of (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol (CID 67468679) is (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol.
What is the SMILES notation for (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol?
The canonical SMILES for (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol is OC(c1ccc(C2CC2)cc1)c1ccncc1OC1CC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol?
The InChIKey is QLPOTFIDIODYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H51NO6/c52-47(42-25-23-41(24-26-42)40-21-22-40)44-27-28-51-30-46(44)57-45-29-43(35-53-31-36-13-5-1-6-14-36)48(54-32-37-15-7-2-8-16-37)50(56-34-39-19-11-4-12-20-39)49(45)55-33-38-17-9-3-10-18-38/h1-20,23-28,30,40,43,45,47-50,52H,21-22,29,31-35H2.
What are the key properties of (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol?
(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol has a molecular weight of 761.96 g/mol, XLogP of 9.78, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol is sourced from PubChem (CID 67468679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).