(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane

C20H22O3 — CID 102030081

IUPAC(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane
SMILESC=C(O[C@H]1CC[C@H](OCc2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-16(18-10-6-3-7-11-18)23-20-13-12-19(15-22-20)21-14-17-8-4-2-5-9-17/h2-11,19-20H,1,12-15H2/t19-,20-/m0/s1
InChIKeySKRLNLBFZDEXTN-PMACEKPBSA-N
MW310.39 g/mol
LogP4.40
Rot. Bonds6

About (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane

(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane (PubChem CID 102030081) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane
PubChem CID102030081
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane
SMILESC=C(O[C@H]1CC[C@H](OCc2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-16(18-10-6-3-7-11-18)23-20-13-12-19(15-22-20)21-14-17-8-4-2-5-9-17/h2-11,19-20H,1,12-15H2/t19-,20-/m0/s1
InChIKeySKRLNLBFZDEXTN-PMACEKPBSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(5R)-5-phenylmethoxyoxan-2-yl] acetate
CID 102211258
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
5-bromo-2-phenylmethoxyoxane
CID 10061728
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
2-phenylmethoxyoxetane
CID 23030739
[6-[3,4,5-tris(phenylmethoxy)benzoyl]oxyoxan-3-yl] 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 140617297
2,4-bis(phenylmethoxy)oxane
CID 123735835
1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
4-phenylmethoxyoxane
CID 66554133
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
[(3R,6R)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
CID 67078564
(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide
CID 139039824

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane?
The IUPAC name of (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane (CID 102030081) is (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane.
What is the SMILES notation for (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane?
The canonical SMILES for (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane is C=C(O[C@H]1CC[C@H](OCc2ccccc2)CO1)c1ccccc1.
What is the InChIKey of (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane?
The InChIKey is SKRLNLBFZDEXTN-PMACEKPBSA-N. The full InChI is InChI=1S/C20H22O3/c1-16(18-10-6-3-7-11-18)23-20-13-12-19(15-22-20)21-14-17-8-4-2-5-9-17/h2-11,19-20H,1,12-15H2/t19-,20-/m0/s1.
What are the key properties of (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane?
(2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane has a molecular weight of 310.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(1-phenylethenoxy)-5-phenylmethoxyoxane is sourced from PubChem (CID 102030081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).