4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol

C20H24O4 — CID 51694144

IUPAC4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
SMILESCOc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@@H](C)[C@H]2C)cc1OC
InChIInChI=1S/C20H24O4/c1-12-13(2)20(15-7-10-17(22-3)18(11-15)23-4)24-19(12)14-5-8-16(21)9-6-14/h5-13,19-21H,1-4H3/t12-,13+,19-,20+/m0/s1
InChIKeyXCRBJSLPMIXFOO-NJBCPNAKSA-N
MW328.41 g/mol
LogP4.49
Rot. Bonds4

About 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol

4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol (PubChem CID 51694144) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol.

Molecular Properties

Compound Name4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
PubChem CID51694144
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
SMILESCOc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@@H](C)[C@H]2C)cc1OC
InChIInChI=1S/C20H24O4/c1-12-13(2)20(15-7-10-17(22-3)18(11-15)23-4)24-19(12)14-5-8-16(21)9-6-14/h5-13,19-21H,1-4H3/t12-,13+,19-,20+/m0/s1
InChIKeyXCRBJSLPMIXFOO-NJBCPNAKSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol 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

4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
4-[(2S,3R,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 163044948
4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
CID 131751451
4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
CID 14681579
6-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 162941534
CID 163729863
CID 163729863
(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one
CID 15605807
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047
2-[2-methoxy-4-[(2S,3R,4R,5S)-5-[3-methoxy-4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]-3,4-dimethyloxolan-2-yl]phenoxy]-1-phenylpropan-1-one
CID 122216901
4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102260959
4-[(2S,3S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 122389430

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
The IUPAC name of 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol (CID 51694144) is 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol.
What is the SMILES notation for 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
The canonical SMILES for 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol is COc1ccc([C@@H]2O[C@H](c3ccc(O)cc3)[C@@H](C)[C@H]2C)cc1OC.
What is the InChIKey of 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
The InChIKey is XCRBJSLPMIXFOO-NJBCPNAKSA-N. The full InChI is InChI=1S/C20H24O4/c1-12-13(2)20(15-7-10-17(22-3)18(11-15)23-4)24-19(12)14-5-8-16(21)9-6-14/h5-13,19-21H,1-4H3/t12-,13+,19-,20+/m0/s1.
What are the key properties of 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol?
4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol has a molecular weight of 328.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol is sourced from PubChem (CID 51694144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).