5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol

C18H22O5 — CID 171933718

IUPAC5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
SMILESCOc1cc(CCc2cc(O)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(19)18(23-4)17(10-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKeyMJAPCIQAMUZEAO-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.21
Rot. Bonds7

About 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol

5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol (PubChem CID 171933718) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
PubChem CID171933718
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
SMILESCOc1cc(CCc2cc(O)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(19)18(23-4)17(10-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKeyMJAPCIQAMUZEAO-UHFFFAOYSA-N
XLogP3.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
CID 86311037
5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol
CID 172871151
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
4-(3-hydroxy-4,5-dimethoxyphenyl)butan-2-one
CID 86067899
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol
CID 172871276
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
CID 172870374

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol?
The IUPAC name of 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol (CID 171933718) is 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol?
The canonical SMILES for 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol is COc1cc(CCc2cc(O)c(OC)c(OC)c2)cc(OC)c1.
What is the InChIKey of 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol?
The InChIKey is MJAPCIQAMUZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(19)18(23-4)17(10-13)22-3/h7-11,19H,5-6H2,1-4H3.
What are the key properties of 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol?
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol has a molecular weight of 318.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 171933718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).