[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol

C23H30O3 — CID 15473516

IUPAC[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
SMILESC[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C23H30O3/c1-19-12-23(13-22(19)14-24,17-25-15-20-8-4-2-5-9-20)18-26-16-21-10-6-3-7-11-21/h2-11,19,22,24H,12-18H2,1H3/t19-,22+/m0/s1
InChIKeyQPMWUSYHLKIMQL-SIKLNZKXSA-N
MW354.49 g/mol
LogP4.44
Rot. Bonds9

About [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol

[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol (PubChem CID 15473516) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
PubChem CID15473516
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
SMILESC[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C23H30O3/c1-19-12-23(13-22(19)14-24,17-25-15-20-8-4-2-5-9-20)18-26-16-21-10-6-3-7-11-21/h2-11,19,22,24H,12-18H2,1H3/t19-,22+/m0/s1
InChIKeyQPMWUSYHLKIMQL-SIKLNZKXSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine
CID 102374726
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
[(E)-2-[(1S,5S)-3,3-bis(phenylmethoxymethyl)-1-bicyclo[3.1.0]hexanyl]ethenyl]-trimethylsilane
CID 177414108
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
CID 25130204
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol?
The IUPAC name of [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol (CID 15473516) is [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol is C[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1CO.
What is the InChIKey of [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol?
The InChIKey is QPMWUSYHLKIMQL-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H30O3/c1-19-12-23(13-22(19)14-24,17-25-15-20-8-4-2-5-9-20)18-26-16-21-10-6-3-7-11-21/h2-11,19,22,24H,12-18H2,1H3/t19-,22+/m0/s1.
What are the key properties of [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol?
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol has a molecular weight of 354.49 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol is sourced from PubChem (CID 15473516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).