2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol

C13H20O4 — CID 117353545

IUPAC2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cc(OC)c(OC)cc1C(C)CO
InChIInChI=1S/C13H20O4/c1-9(7-14)11-6-13(17-4)12(16-3)5-10(11)8-15-2/h5-6,9,14H,7-8H2,1-4H3
InChIKeyHLSCSSYUNDPMSZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.95
Rot. Bonds6

About 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol

2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol (PubChem CID 117353545) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
PubChem CID117353545
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cc(OC)c(OC)cc1C(C)CO
InChIInChI=1S/C13H20O4/c1-9(7-14)11-6-13(17-4)12(16-3)5-10(11)8-15-2/h5-6,9,14H,7-8H2,1-4H3
InChIKeyHLSCSSYUNDPMSZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-[5-chloro-2-(methoxymethyl)phenyl]propan-1-ol
CID 117306024
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-1-ol
CID 117353542
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353827
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol
CID 117351358
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
4-hydroxy-5-(1-hydroxypropan-2-yl)-2-methoxybenzonitrile
CID 117295775

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol?
The IUPAC name of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol (CID 117353545) is 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol is COCc1cc(OC)c(OC)cc1C(C)CO.
What is the InChIKey of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol?
The InChIKey is HLSCSSYUNDPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(7-14)11-6-13(17-4)12(16-3)5-10(11)8-15-2/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol?
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117353545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).