phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

C23H28O2 — CID 177244910

IUPACphenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESOC(c1ccccc1)C12CCC(COCc3ccccc3)(CC1)CC2
InChIInChI=1S/C23H28O2/c24-21(20-9-5-2-6-10-20)23-14-11-22(12-15-23,13-16-23)18-25-17-19-7-3-1-4-8-19/h1-10,21,24H,11-18H2
InChIKeyKGXSPYDCSFUQCM-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.28
Rot. Bonds6

About phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 177244910) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Namephenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID177244910
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Namephenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESOC(c1ccccc1)C12CCC(COCc3ccccc3)(CC1)CC2
InChIInChI=1S/C23H28O2/c24-21(20-9-5-2-6-10-20)23-14-11-22(12-15-23,13-16-23)18-25-17-19-7-3-1-4-8-19/h1-10,21,24H,11-18H2
InChIKeyKGXSPYDCSFUQCM-UHFFFAOYSA-N
XLogP5.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol
CID 67706631
1-phenyl-4-phenylmethoxybutan-1-ol
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(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
CID 10966198
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
CID 66734377
CID 66734377
1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
CID 79425525

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol (CID 177244910) is phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol is OC(c1ccccc1)C12CCC(COCc3ccccc3)(CC1)CC2.
What is the InChIKey of phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is KGXSPYDCSFUQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c24-21(20-9-5-2-6-10-20)23-14-11-22(12-15-23,13-16-23)18-25-17-19-7-3-1-4-8-19/h1-10,21,24H,11-18H2.
What are the key properties of phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 336.48 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(phenylmethoxymethyl)-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 177244910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).