[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol

C21H26O3 — CID 156775326

IUPAC[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol
SMILESOCc1ccccc1C1(CO)CCCC(OCc2ccccc2)C1
InChIInChI=1S/C21H26O3/c22-14-18-9-4-5-11-20(18)21(16-23)12-6-10-19(13-21)24-15-17-7-2-1-3-8-17/h1-5,7-9,11,19,22-23H,6,10,12-16H2
InChIKeyZTINMZCKQIWASR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.57
Rot. Bonds6

About [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol

[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol (PubChem CID 156775326) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol
PubChem CID156775326
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol
SMILESOCc1ccccc1C1(CO)CCCC(OCc2ccccc2)C1
InChIInChI=1S/C21H26O3/c22-14-18-9-4-5-11-20(18)21(16-23)12-6-10-19(13-21)24-15-17-7-2-1-3-8-17/h1-5,7-9,11,19,22-23H,6,10,12-16H2
InChIKeyZTINMZCKQIWASR-UHFFFAOYSA-N
XLogP3.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol
CID 156775293
[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclohexyl]phenyl]methanol
CID 156775392
azane;cyclopentyloxymethylbenzene
CID 69411306
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
3-(3-phenylmethoxycyclohexyl)propanoic acid
CID 115049002
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180

Frequently Asked Questions

What is the IUPAC name of [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol?
The IUPAC name of [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol (CID 156775326) is [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol.
What is the SMILES notation for [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol?
The canonical SMILES for [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol is OCc1ccccc1C1(CO)CCCC(OCc2ccccc2)C1.
What is the InChIKey of [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol?
The InChIKey is ZTINMZCKQIWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c22-14-18-9-4-5-11-20(18)21(16-23)12-6-10-19(13-21)24-15-17-7-2-1-3-8-17/h1-5,7-9,11,19,22-23H,6,10,12-16H2.
What are the key properties of [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol?
[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol has a molecular weight of 326.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol is sourced from PubChem (CID 156775326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).