(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone

C34H34O4 — CID 11641943

IUPAC(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone
SMILESCOc1cc(C[C@H]2COC[C@@H]2C(=O)c2ccc(Cc3ccccc3)c(OC)c2)ccc1Cc1ccccc1
InChIInChI=1S/C34H34O4/c1-36-32-20-26(13-14-27(32)17-24-9-5-3-6-10-24)19-30-22-38-23-31(30)34(35)29-16-15-28(33(21-29)37-2)18-25-11-7-4-8-12-25/h3-16,20-21,30-31H,17-19,22-23H2,1-2H3/t30-,31-/m0/s1
InChIKeyOOIYRZNEKAIXLJ-CONSDPRKSA-N
MW506.64 g/mol
LogP6.57
Rot. Bonds10

About (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone

(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone (PubChem CID 11641943) has the molecular formula C34H34O4 and a molecular weight of 506.64 g/mol. Its IUPAC name is (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone
PubChem CID11641943
Molecular FormulaC34H34O4
Molecular Weight506.64 g/mol
Exact Mass506.25
IUPAC Name(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone
SMILESCOc1cc(C[C@H]2COC[C@@H]2C(=O)c2ccc(Cc3ccccc3)c(OC)c2)ccc1Cc1ccccc1
InChIInChI=1S/C34H34O4/c1-36-32-20-26(13-14-27(32)17-24-9-5-3-6-10-24)19-30-22-38-23-31(30)34(35)29-16-15-28(33(21-29)37-2)18-25-11-7-4-8-12-25/h3-16,20-21,30-31H,17-19,22-23H2,1-2H3/t30-,31-/m0/s1
InChIKeyOOIYRZNEKAIXLJ-CONSDPRKSA-N
XLogP6.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone with MolForge

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Related Compounds

[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71712574
4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol
CID 171905349
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 71712575
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
[(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)oxolan-3-yl]-(4-propan-2-ylphenyl)methanone
CID 71608170
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] butanoate
CID 71712571
4-benzyl-3-methoxyaniline
CID 22599955
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
4-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)-2-methoxybenzonitrile
CID 171939743
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-benzylbenzoate
CID 16528099
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone?
The IUPAC name of (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone (CID 11641943) is (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone.
What is the SMILES notation for (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone?
The canonical SMILES for (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone is COc1cc(C[C@H]2COC[C@@H]2C(=O)c2ccc(Cc3ccccc3)c(OC)c2)ccc1Cc1ccccc1.
What is the InChIKey of (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone?
The InChIKey is OOIYRZNEKAIXLJ-CONSDPRKSA-N. The full InChI is InChI=1S/C34H34O4/c1-36-32-20-26(13-14-27(32)17-24-9-5-3-6-10-24)19-30-22-38-23-31(30)34(35)29-16-15-28(33(21-29)37-2)18-25-11-7-4-8-12-25/h3-16,20-21,30-31H,17-19,22-23H2,1-2H3/t30-,31-/m0/s1.
What are the key properties of (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone?
(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone has a molecular weight of 506.64 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone is sourced from PubChem (CID 11641943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).