[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene

C27H30O3 — CID 134971332

IUPAC[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
SMILESc1ccc(COCC2C(OCc3ccccc3)CC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C27H30O3/c1-4-10-22(11-5-1)18-28-21-25-26(29-19-23-12-6-2-7-13-23)16-17-27(25)30-20-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2/t25?,26-,27?/m0/s1
InChIKeyPQOQQVHBTCEVQL-QLLQDVQFSA-N
MW402.53 g/mol
LogP5.78
Rot. Bonds10

About [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene

[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene (PubChem CID 134971332) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene.

Molecular Properties

Compound Name[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
PubChem CID134971332
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
SMILESc1ccc(COCC2C(OCc3ccccc3)CC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C27H30O3/c1-4-10-22(11-5-1)18-28-21-25-26(29-19-23-12-6-2-7-13-23)16-17-27(25)30-20-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2/t25?,26-,27?/m0/s1
InChIKeyPQOQQVHBTCEVQL-QLLQDVQFSA-N
XLogP5.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
(2R,3R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
CID 59911483
(3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
CID 71010582
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
The IUPAC name of [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene (CID 134971332) is [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene.
What is the SMILES notation for [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
The canonical SMILES for [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene is c1ccc(COCC2C(OCc3ccccc3)CC[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
The InChIKey is PQOQQVHBTCEVQL-QLLQDVQFSA-N. The full InChI is InChI=1S/C27H30O3/c1-4-10-22(11-5-1)18-28-21-25-26(29-19-23-12-6-2-7-13-23)16-17-27(25)30-20-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2/t25?,26-,27?/m0/s1.
What are the key properties of [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene has a molecular weight of 402.53 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene is sourced from PubChem (CID 134971332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).