(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane

C21H24O2 — CID 166976209

IUPAC(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
SMILESc1ccc(COC[C@@H]2[C@@H](COCc3ccccc3)[C@@H]3C[C@H]23)cc1
InChIInChI=1S/C21H24O2/c1-3-7-16(8-4-1)12-22-14-20-18-11-19(18)21(20)15-23-13-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19+,20-,21-/m0/s1
InChIKeyHIRYKJYPBWYNJQ-WOZUAGRISA-N
MW308.42 g/mol
LogP4.30
Rot. Bonds8

About (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane

(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane (PubChem CID 166976209) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
PubChem CID166976209
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
SMILESc1ccc(COC[C@@H]2[C@@H](COCc3ccccc3)[C@@H]3C[C@H]23)cc1
InChIInChI=1S/C21H24O2/c1-3-7-16(8-4-1)12-22-14-20-18-11-19(18)21(20)15-23-13-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19+,20-,21-/m0/s1
InChIKeyHIRYKJYPBWYNJQ-WOZUAGRISA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethenyl-2,3-bis(phenylmethoxymethyl)bicyclo[2.2.1]heptane
CID 75576644
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
(6R,8S,16S,18R)-7,17-bis(phenylmethoxymethyl)-2,12-dithiapentacyclo[11.7.0.03,11.06,8.016,18]icosa-1(13),3(11)-diene
CID 134848502
(3aR,6aS)-5-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828466
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839
(1S,2S,3S,5R)-3-methyl-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 58620345
2-(phenylmethoxymethyl)thiirane
CID 12015177

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane?
The IUPAC name of (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane (CID 166976209) is (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane?
The canonical SMILES for (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane is c1ccc(COC[C@@H]2[C@@H](COCc3ccccc3)[C@@H]3C[C@H]23)cc1.
What is the InChIKey of (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane?
The InChIKey is HIRYKJYPBWYNJQ-WOZUAGRISA-N. The full InChI is InChI=1S/C21H24O2/c1-3-7-16(8-4-1)12-22-14-20-18-11-19(18)21(20)15-23-13-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19+,20-,21-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane?
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane has a molecular weight of 308.42 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 166976209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).