2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol

C13H20O4 — CID 117353559

IUPAC2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1cc(OC)c(OC)c(C(C)(C)O)c1
InChIInChI=1S/C13H20O4/c1-13(2,14)10-6-9(8-15-3)7-11(16-4)12(10)17-5/h6-7,14H,8H2,1-5H3
InChIKeyVRPFLLUFDIKOSE-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.08
Rot. Bonds5

About 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol

2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117353559) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117353559
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1cc(OC)c(OC)c(C(C)(C)O)c1
InChIInChI=1S/C13H20O4/c1-13(2,14)10-6-9(8-15-3)7-11(16-4)12(10)17-5/h6-7,14H,8H2,1-5H3
InChIKeyVRPFLLUFDIKOSE-UHFFFAOYSA-N
XLogP2.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117300505
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-1-ol
CID 117353542
3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzonitrile
CID 117315572
2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
CID 84705649
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
CID 84691885
2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355242
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353561
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol (CID 117353559) is 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol is COCc1cc(OC)c(OC)c(C(C)(C)O)c1.
What is the InChIKey of 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is VRPFLLUFDIKOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-13(2,14)10-6-9(8-15-3)7-11(16-4)12(10)17-5/h6-7,14H,8H2,1-5H3.
What are the key properties of 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol?
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117353559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).