(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one

C20H26O6 — CID 139249873

IUPAC(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one
SMILESCOc1ccc(COC[C@H]2CC(C[C@@H]3COC(C)(C)O3)=CC(=O)O2)cc1
InChIInChI=1S/C20H26O6/c1-20(2)24-13-18(26-20)9-15-8-17(25-19(21)10-15)12-23-11-14-4-6-16(22-3)7-5-14/h4-7,10,17-18H,8-9,11-13H2,1-3H3/t17-,18-/m1/s1
InChIKeyURKGCQMWBKWOOI-QZTJIDSGSA-N
MW362.42 g/mol
LogP3.00
Rot. Bonds7

About (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one

(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one (PubChem CID 139249873) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one
PubChem CID139249873
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one
SMILESCOc1ccc(COC[C@H]2CC(C[C@@H]3COC(C)(C)O3)=CC(=O)O2)cc1
InChIInChI=1S/C20H26O6/c1-20(2)24-13-18(26-20)9-15-8-17(25-19(21)10-15)12-23-11-14-4-6-16(22-3)7-5-14/h4-7,10,17-18H,8-9,11-13H2,1-3H3/t17-,18-/m1/s1
InChIKeyURKGCQMWBKWOOI-QZTJIDSGSA-N
XLogP3.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-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

(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
2-[6-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 72756651
benzyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl [(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-2,6-bis(phenylmethoxymethoxy)cyclohexyl] phosphate
CID 10557937
2,6-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]pyridine
CID 70267435
(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
CID 102215285
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methoxyaniline
CID 59352968
(4R,5S)-5-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10085046
(E)-3-[(4R,5S)-4-[(2R)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2-methylprop-2-en-1-ol
CID 11382948
(2R)-4-phenyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 14667648
methyl 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]benzenesulfonate
CID 172820946
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
(2R,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-methyl-2-[[(2R)-oxiran-2-yl]methyl]oxirane
CID 71606164

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one (CID 139249873) is (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one is COc1ccc(COC[C@H]2CC(C[C@@H]3COC(C)(C)O3)=CC(=O)O2)cc1.
What is the InChIKey of (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one?
The InChIKey is URKGCQMWBKWOOI-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H26O6/c1-20(2)24-13-18(26-20)9-15-8-17(25-19(21)10-15)12-23-11-14-4-6-16(22-3)7-5-14/h4-7,10,17-18H,8-9,11-13H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one?
(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one has a molecular weight of 362.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 139249873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).