5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol

C21H26O6 — CID 162969643

IUPAC5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)[C@H](OC)CO2)cc1O
InChIInChI=1S/C21H26O6/c1-23-17-7-6-14(9-16(17)22)19-11-15(21(26-4)12-27-19)13-5-8-18(24-2)20(10-13)25-3/h5-10,15,19,21-22H,11-12H2,1-4H3/t15-,19-,21+/m0/s1
InChIKeyWTCGOQUMVRSMDU-PAXLWEDBSA-N
MW374.43 g/mol
LogP3.68
Rot. Bonds6

About 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol

5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol (PubChem CID 162969643) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol
PubChem CID162969643
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol
SMILESCOc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)[C@H](OC)CO2)cc1O
InChIInChI=1S/C21H26O6/c1-23-17-7-6-14(9-16(17)22)19-11-15(21(26-4)12-27-19)13-5-8-18(24-2)20(10-13)25-3/h5-10,15,19,21-22H,11-12H2,1-4H3/t15-,19-,21+/m0/s1
InChIKeyWTCGOQUMVRSMDU-PAXLWEDBSA-N
XLogP3.68
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol with MolForge

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Related Compounds

4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
5-[(2S,3S,4S,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 102353917
4-chloro-2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-3,5-dimethylphenol
CID 136961721
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol
CID 15110282
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
4-methoxybenzene-1,3-diol;2-methyloxirane
CID 131711455
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol
CID 82778659
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol (CID 162969643) is 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol is COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)[C@H](OC)CO2)cc1O.
What is the InChIKey of 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol?
The InChIKey is WTCGOQUMVRSMDU-PAXLWEDBSA-N. The full InChI is InChI=1S/C21H26O6/c1-23-17-7-6-14(9-16(17)22)19-11-15(21(26-4)12-27-19)13-5-8-18(24-2)20(10-13)25-3/h5-10,15,19,21-22H,11-12H2,1-4H3/t15-,19-,21+/m0/s1.
What are the key properties of 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol?
5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol has a molecular weight of 374.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S,5S)-4-(3,4-dimethoxyphenyl)-5-methoxyoxan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 162969643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).