[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate

C27H26O5 — CID 14605865

IUPAC[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
SMILESO=C(OCC1OC=CC(OCc2ccccc2)C1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O5/c28-27(23-14-8-3-9-15-23)32-20-25-26(31-19-22-12-6-2-7-13-22)24(16-17-29-25)30-18-21-10-4-1-5-11-21/h1-17,24-26H,18-20H2
InChIKeyIKOWQUMNXIOOCG-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.93
Rot. Bonds9

About [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate

[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate (PubChem CID 14605865) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate.

Molecular Properties

Compound Name[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
PubChem CID14605865
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate
SMILESO=C(OCC1OC=CC(OCc2ccccc2)C1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O5/c28-27(23-14-8-3-9-15-23)32-20-25-26(31-19-22-12-6-2-7-13-22)24(16-17-29-25)30-18-21-10-4-1-5-11-21/h1-17,24-26H,18-20H2
InChIKeyIKOWQUMNXIOOCG-UHFFFAOYSA-N
XLogP4.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate 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,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 11186428
(2R,3R,4R,5S)-2-(methoxymethyl)-3,4,5-tris(phenylmethoxy)-2,3,4,5-tetrahydrooxepine
CID 102415995
[(2S,3R,4R)-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl] benzoate
CID 10758317
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493
[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 129152365
[(2R,3S,4R)-4-hydroxy-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 67083599
3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-carbaldehyde
CID 167068650
[(2R,3R,4R)-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 102121862
[(2S,3R,4S,5R,6R)-3,5,6-tribenzoyloxy-4-phenylmethoxyoxan-2-yl]methyl benzoate
CID 11490912

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate?
The IUPAC name of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate (CID 14605865) is [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate.
What is the SMILES notation for [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate?
The canonical SMILES for [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate is O=C(OCC1OC=CC(OCc2ccccc2)C1OCc1ccccc1)c1ccccc1.
What is the InChIKey of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate?
The InChIKey is IKOWQUMNXIOOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O5/c28-27(23-14-8-3-9-15-23)32-20-25-26(31-19-22-12-6-2-7-13-22)24(16-17-29-25)30-18-21-10-4-1-5-11-21/h1-17,24-26H,18-20H2.
What are the key properties of [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate?
[3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate has a molecular weight of 430.50 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl benzoate is sourced from PubChem (CID 14605865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).