2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol

C13H20O5 — CID 162953882

IUPAC2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
SMILESCOc1cc(OC)c(C(O)C(C)OC)cc1OC
InChIInChI=1S/C13H20O5/c1-8(15-2)13(14)9-6-11(17-4)12(18-5)7-10(9)16-3/h6-8,13-14H,1-5H3
InChIKeyZBCZKGJBEMFBOW-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.78
Rot. Bonds6

About 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol

2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol (PubChem CID 162953882) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
PubChem CID162953882
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
SMILESCOc1cc(OC)c(C(O)C(C)OC)cc1OC
InChIInChI=1S/C13H20O5/c1-8(15-2)13(14)9-6-11(17-4)12(18-5)7-10(9)16-3/h6-8,13-14H,1-5H3
InChIKeyZBCZKGJBEMFBOW-UHFFFAOYSA-N
XLogP1.78
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
4-hydroxy-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 79414175
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65190714
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
3-chloro-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
CID 171863317
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
CID 46848158
(1R,2S)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171160797
(1S,2R)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171162228
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol (CID 162953882) is 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol is COc1cc(OC)c(C(O)C(C)OC)cc1OC.
What is the InChIKey of 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
The InChIKey is ZBCZKGJBEMFBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-8(15-2)13(14)9-6-11(17-4)12(18-5)7-10(9)16-3/h6-8,13-14H,1-5H3.
What are the key properties of 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol?
2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 162953882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).