1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol

C18H22O6 — CID 11461770

IUPAC1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc(C(O)C(O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H22O6/c1-21-13-7-5-11(9-15(13)23-3)17(19)18(20)12-6-8-14(22-2)16(10-12)24-4/h5-10,17-20H,1-4H3
InChIKeyMZNPNSXBQAJKBM-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.49
Rot. Bonds7

About 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol

1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol (PubChem CID 11461770) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
PubChem CID11461770
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc(C(O)C(O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H22O6/c1-21-13-7-5-11(9-15(13)23-3)17(19)18(20)12-6-8-14(22-2)16(10-12)24-4/h5-10,17-20H,1-4H3
InChIKeyMZNPNSXBQAJKBM-UHFFFAOYSA-N
XLogP2.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
CID 102517509
(1S,2S)-1-(3-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10247286
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
2,2-dichloro-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanol
CID 164892730

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol (CID 11461770) is 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol is COc1ccc(C(O)C(O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol?
The InChIKey is MZNPNSXBQAJKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-21-13-7-5-11(9-15(13)23-3)17(19)18(20)12-6-8-14(22-2)16(10-12)24-4/h5-10,17-20H,1-4H3.
What are the key properties of 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol?
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol has a molecular weight of 334.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 11461770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).