(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one

C20H22O4 — CID 11580724

IUPAC(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
SMILESCOc1cccc([13CH2][C@H]2CO[13C](=O)[C@@H]2[13CH2]c2cccc(OC)c2)c1
InChIInChI=1S/C20H22O4/c1-22-17-7-3-5-14(10-17)9-16-13-24-20(21)19(16)12-15-6-4-8-18(11-15)23-2/h3-8,10-11,16,19H,9,12-13H2,1-2H3/t16-,19+/m0/s1/i9+1,12+1,20+1
InChIKeyRLYSAJZJSSKQCM-YXDZAYSBSA-N
MW329.37 g/mol
LogP3.28
Rot. Bonds6

About (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one

(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one (PubChem CID 11580724) has the molecular formula C20H22O4 and a molecular weight of 329.37 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
PubChem CID11580724
Molecular FormulaC20H22O4
Molecular Weight329.37 g/mol
Exact Mass329.16
IUPAC Name(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
SMILESCOc1cccc([13CH2][C@H]2CO[13C](=O)[C@@H]2[13CH2]c2cccc(OC)c2)c1
InChIInChI=1S/C20H22O4/c1-22-17-7-3-5-14(10-17)9-16-13-24-20(21)19(16)12-15-6-4-8-18(11-15)23-2/h3-8,10-11,16,19H,9,12-13H2,1-2H3/t16-,19+/m0/s1/i9+1,12+1,20+1
InChIKeyRLYSAJZJSSKQCM-YXDZAYSBSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one with MolForge

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Related Compounds

4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
CID 59801682
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(3R,4R)-4-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 11131264
(3R,4S)-3,4-dibenzyloxolan-2-one
CID 14546898
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
3-[[3-(diethylamino)phenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
CID 66549365
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolan-2-one
CID 71714363
4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]oxolan-2-one
CID 66549178
3-[(3,4-dihydroxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 73409570
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71714216
4-[(3-chlorophenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 163684828
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one?
The IUPAC name of (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one (CID 11580724) is (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one.
What is the SMILES notation for (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one?
The canonical SMILES for (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one is COc1cccc([13CH2][C@H]2CO[13C](=O)[C@@H]2[13CH2]c2cccc(OC)c2)c1.
What is the InChIKey of (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one?
The InChIKey is RLYSAJZJSSKQCM-YXDZAYSBSA-N. The full InChI is InChI=1S/C20H22O4/c1-22-17-7-3-5-14(10-17)9-16-13-24-20(21)19(16)12-15-6-4-8-18(11-15)23-2/h3-8,10-11,16,19H,9,12-13H2,1-2H3/t16-,19+/m0/s1/i9+1,12+1,20+1.
What are the key properties of (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one?
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one has a molecular weight of 329.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one is sourced from PubChem (CID 11580724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).