(3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane

C30H36O6 — CID 71712872

IUPAC(3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane
SMILESCOc1ccc(CCOc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C30H36O6/c1-31-26-9-5-21(6-10-26)13-14-36-28-12-8-23(18-30(28)34-4)16-25-20-35-19-24(25)15-22-7-11-27(32-2)29(17-22)33-3/h5-12,17-18,24-25H,13-16,19-20H2,1-4H3/t24-,25-/m0/s1
InChIKeyBEOORQNKYWWQRC-DQEYMECFSA-N
MW492.61 g/mol
LogP5.39
Rot. Bonds12

About (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane

(3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane (PubChem CID 71712872) has the molecular formula C30H36O6 and a molecular weight of 492.61 g/mol. Its IUPAC name is (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane.

Molecular Properties

Compound Name(3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane
PubChem CID71712872
Molecular FormulaC30H36O6
Molecular Weight492.61 g/mol
Exact Mass492.25
IUPAC Name(3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane
SMILESCOc1ccc(CCOc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C30H36O6/c1-31-26-9-5-21(6-10-26)13-14-36-28-12-8-23(18-30(28)34-4)16-25-20-35-19-24(25)15-22-7-11-27(32-2)29(17-22)33-3/h5-12,17-18,24-25H,13-16,19-20H2,1-4H3/t24-,25-/m0/s1
InChIKeyBEOORQNKYWWQRC-DQEYMECFSA-N
XLogP5.39
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane with MolForge

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Related Compounds

(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolan-2-one
CID 71714363
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71712574
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 71712575
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] butanoate
CID 71712571
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(3S,5S)-3,5-bis[(4-methoxyphenyl)methyl]oxan-4-ol
CID 95987412
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]oxolan-2-one
CID 140918252
(3R,4R)-3-[[4-[2-(2-chlorophenyl)ethoxy]-3-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
CID 71712431
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71714216
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
(3R,4R)-3-[(3-butoxy-4-hydroxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
CID 71574966

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane?
The IUPAC name of (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane (CID 71712872) is (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane.
What is the SMILES notation for (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane?
The canonical SMILES for (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane is COc1ccc(CCOc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1.
What is the InChIKey of (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane?
The InChIKey is BEOORQNKYWWQRC-DQEYMECFSA-N. The full InChI is InChI=1S/C30H36O6/c1-31-26-9-5-21(6-10-26)13-14-36-28-12-8-23(18-30(28)34-4)16-25-20-35-19-24(25)15-22-7-11-27(32-2)29(17-22)33-3/h5-12,17-18,24-25H,13-16,19-20H2,1-4H3/t24-,25-/m0/s1.
What are the key properties of (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane?
(3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane has a molecular weight of 492.61 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(3,4-dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolane is sourced from PubChem (CID 71712872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).