(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane

C25H34O7 — CID 135024177

IUPAC(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane
SMILESCOCOc1ccc([C@H]2C[C@H](OCOC)C[C@@H](CCOCc3ccccc3)O2)cc1OC
InChIInChI=1S/C25H34O7/c1-26-17-30-22-14-21(11-12-29-16-19-7-5-4-6-8-19)32-24(15-22)20-9-10-23(31-18-27-2)25(13-20)28-3/h4-10,13,21-22,24H,11-12,14-18H2,1-3H3/t21-,22-,24-/m1/s1
InChIKeyVILGASAUZCIEPB-CQOQZXRMSA-N
MW446.54 g/mol
LogP4.49
Rot. Bonds13

About (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane

(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane (PubChem CID 135024177) has the molecular formula C25H34O7 and a molecular weight of 446.54 g/mol. Its IUPAC name is (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane.

Molecular Properties

Compound Name(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane
PubChem CID135024177
Molecular FormulaC25H34O7
Molecular Weight446.54 g/mol
Exact Mass446.23
IUPAC Name(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane
SMILESCOCOc1ccc([C@H]2C[C@H](OCOC)C[C@@H](CCOCc3ccccc3)O2)cc1OC
InChIInChI=1S/C25H34O7/c1-26-17-30-22-14-21(11-12-29-16-19-7-5-4-6-8-19)32-24(15-22)20-9-10-23(31-18-27-2)25(13-20)28-3/h4-10,13,21-22,24H,11-12,14-18H2,1-3H3/t21-,22-,24-/m1/s1
InChIKeyVILGASAUZCIEPB-CQOQZXRMSA-N
XLogP4.49
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane?
The IUPAC name of (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane (CID 135024177) is (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane.
What is the SMILES notation for (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane?
The canonical SMILES for (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane is COCOc1ccc([C@H]2C[C@H](OCOC)C[C@@H](CCOCc3ccccc3)O2)cc1OC.
What is the InChIKey of (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane?
The InChIKey is VILGASAUZCIEPB-CQOQZXRMSA-N. The full InChI is InChI=1S/C25H34O7/c1-26-17-30-22-14-21(11-12-29-16-19-7-5-4-6-8-19)32-24(15-22)20-9-10-23(31-18-27-2)25(13-20)28-3/h4-10,13,21-22,24H,11-12,14-18H2,1-3H3/t21-,22-,24-/m1/s1.
What are the key properties of (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane?
(2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane has a molecular weight of 446.54 g/mol, XLogP of 4.49, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-4-(methoxymethoxy)-2-[3-methoxy-4-(methoxymethoxy)phenyl]-6-(2-phenylmethoxyethyl)oxane is sourced from PubChem (CID 135024177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).