(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

C19H20O4 — CID 23379023

IUPAC(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C19H20O4/c20-19-11-17(22-13-16-9-5-2-6-10-16)18(23-19)14-21-12-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m0/s1
InChIKeyZVNMIMFCDTZKSU-ZWKOTPCHSA-N
MW312.37 g/mol
LogP3.10
Rot. Bonds7

About (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one

(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 23379023) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID23379023
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C19H20O4/c20-19-11-17(22-13-16-9-5-2-6-10-16)18(23-19)14-21-12-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m0/s1
InChIKeyZVNMIMFCDTZKSU-ZWKOTPCHSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one (CID 23379023) is (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is O=C1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is ZVNMIMFCDTZKSU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20O4/c20-19-11-17(22-13-16-9-5-2-6-10-16)18(23-19)14-21-12-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-,18+/m0/s1.
What are the key properties of (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one?
(4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 312.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 23379023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).