(2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one

C23H24O4 — CID 101128231

IUPAC(2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)C=C(OCc2ccccc2)C1=O
InChIInChI=1S/C23H24O4/c1-2-9-21-23(24)22(26-16-19-12-7-4-8-13-19)14-20(27-21)17-25-15-18-10-5-3-6-11-18/h2-8,10-14,20-21H,1,9,15-17H2/t20-,21-/m0/s1
InChIKeyFVHRJWZROYKMMX-SFTDATJTSA-N
MW364.44 g/mol
LogP4.22
Rot. Bonds9

About (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one

(2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one (PubChem CID 101128231) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one
PubChem CID101128231
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name(2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)C=C(OCc2ccccc2)C1=O
InChIInChI=1S/C23H24O4/c1-2-9-21-23(24)22(26-16-19-12-7-4-8-13-19)14-20(27-21)17-25-15-18-10-5-3-6-11-18/h2-8,10-14,20-21H,1,9,15-17H2/t20-,21-/m0/s1
InChIKeyFVHRJWZROYKMMX-SFTDATJTSA-N
XLogP4.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
(2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one
CID 10629578
(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 11224624
(2R,3R)-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 154508733
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
(6R)-1-benzyl-3-(phenylmethoxymethyl)-6-prop-2-enylpiperazine-2,5-dione
CID 138547119
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227
(1S,2S,3R)-3-(phenylmethoxymethyl)-2-prop-2-enylcyclohexan-1-ol
CID 102008593
N-[(2R,3R,4R,6R)-5-oxo-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
CID 10812963
(2R,3S,4R,5S,6S)-5-azido-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 10815212
31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane
CID 177416908

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one?
The IUPAC name of (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one (CID 101128231) is (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one.
What is the SMILES notation for (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one?
The canonical SMILES for (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one is C=CC[C@@H]1O[C@H](COCc2ccccc2)C=C(OCc2ccccc2)C1=O.
What is the InChIKey of (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one?
The InChIKey is FVHRJWZROYKMMX-SFTDATJTSA-N. The full InChI is InChI=1S/C23H24O4/c1-2-9-21-23(24)22(26-16-19-12-7-4-8-13-19)14-20(27-21)17-25-15-18-10-5-3-6-11-18/h2-8,10-14,20-21H,1,9,15-17H2/t20-,21-/m0/s1.
What are the key properties of (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one?
(2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one has a molecular weight of 364.44 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enyl-2H-pyran-5-one is sourced from PubChem (CID 101128231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).