[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene

C48H48O6 — CID 10747453

IUPAC[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
SMILESc1ccc(COC2C(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C48H48O6/c1-7-19-37(20-8-1)31-49-43-44(50-32-38-21-9-2-10-22-38)46(52-34-40-25-13-4-14-26-40)48(54-36-42-29-17-6-18-30-42)47(53-35-41-27-15-5-16-28-41)45(43)51-33-39-23-11-3-12-24-39/h1-30,43-48H,31-36H2
InChIKeyGXFRNKWFHVHTGU-UHFFFAOYSA-N
MW720.91 g/mol
LogP9.51
Rot. Bonds18

About [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene (PubChem CID 10747453) has the molecular formula C48H48O6 and a molecular weight of 720.91 g/mol. Its IUPAC name is [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene.

Molecular Properties

Compound Name[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
PubChem CID10747453
Molecular FormulaC48H48O6
Molecular Weight720.91 g/mol
Exact Mass720.35
IUPAC Name[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
SMILESc1ccc(COC2C(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C48H48O6/c1-7-19-37(20-8-1)31-49-43-44(50-32-38-21-9-2-10-22-38)46(52-34-40-25-13-4-14-26-40)48(54-36-42-29-17-6-18-30-42)47(53-35-41-27-15-5-16-28-41)45(43)51-33-39-23-11-3-12-24-39/h1-30,43-48H,31-36H2
InChIKeyGXFRNKWFHVHTGU-UHFFFAOYSA-N
XLogP9.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.91
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
3-[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxypropan-1-ol
CID 123313104
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1R,5S,6R,8S)-6,7,8,9-tetrakis(phenylmethoxy)-2,4-dioxabicyclo[3.3.1]nonane
CID 10626542
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631

Frequently Asked Questions

What is the IUPAC name of [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene?
The IUPAC name of [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene (CID 10747453) is [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene.
What is the SMILES notation for [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene?
The canonical SMILES for [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene is c1ccc(COC2C(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene?
The InChIKey is GXFRNKWFHVHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48O6/c1-7-19-37(20-8-1)31-49-43-44(50-32-38-21-9-2-10-22-38)46(52-34-40-25-13-4-14-26-40)48(54-36-42-29-17-6-18-30-42)47(53-35-41-27-15-5-16-28-41)45(43)51-33-39-23-11-3-12-24-39/h1-30,43-48H,31-36H2.
What are the key properties of [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene?
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene has a molecular weight of 720.91 g/mol, XLogP of 9.51, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene is sourced from PubChem (CID 10747453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).