(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol

C20H24O4 — CID 91005929

IUPAC(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
SMILESOC1[C@H](O)C[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4/c21-18-11-17(23-13-15-7-3-1-4-8-15)12-19(20(18)22)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19-,20?/m0/s1
InChIKeyNPGZLRFNNBUOHS-COHPWVSRSA-N
MW328.41 g/mol
LogP2.67
Rot. Bonds6

About (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol

(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol (PubChem CID 91005929) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
PubChem CID91005929
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
SMILESOC1[C@H](O)C[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4/c21-18-11-17(23-13-15-7-3-1-4-8-15)12-19(20(18)22)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19-,20?/m0/s1
InChIKeyNPGZLRFNNBUOHS-COHPWVSRSA-N
XLogP2.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
[(1R,2R,3R,5R)-2,3-dihydroxy-5-phenylmethoxycyclohexyl] 4-methylbenzenesulfonate
CID 15428198
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
[(2S,6S)-2,4,6-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168602
benzyl N-[3-[(1R,2S,3R,5S)-2-hydroxy-3,5-bis(phenylmethoxy)cyclohexyl]oxypropyl]carbamate
CID 102354629
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol?
The IUPAC name of (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol (CID 91005929) is (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol.
What is the SMILES notation for (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol?
The canonical SMILES for (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol is OC1[C@H](O)C[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol?
The InChIKey is NPGZLRFNNBUOHS-COHPWVSRSA-N. The full InChI is InChI=1S/C20H24O4/c21-18-11-17(23-13-15-7-3-1-4-8-15)12-19(20(18)22)24-14-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18+,19-,20?/m0/s1.
What are the key properties of (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol?
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol has a molecular weight of 328.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol is sourced from PubChem (CID 91005929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).