2,3-dimethoxy-4-methylphenol;propane

C12H20O3 — CID 143012581

IUPAC2,3-dimethoxy-4-methylphenol;propane
SMILESCCC.COc1c(C)ccc(O)c1OC
InChIInChI=1S/C9H12O3.C3H8/c1-6-4-5-7(10)9(12-3)8(6)11-2;1-3-2/h4-5,10H,1-3H3;3H2,1-2H3
InChIKeyCSZYBMVMNIWNLA-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.13
Rot. Bonds2

About 2,3-dimethoxy-4-methylphenol;propane

2,3-dimethoxy-4-methylphenol;propane (PubChem CID 143012581) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,3-dimethoxy-4-methylphenol;propane.

Molecular Properties

Compound Name2,3-dimethoxy-4-methylphenol;propane
PubChem CID143012581
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2,3-dimethoxy-4-methylphenol;propane
SMILESCCC.COc1c(C)ccc(O)c1OC
InChIInChI=1S/C9H12O3.C3H8/c1-6-4-5-7(10)9(12-3)8(6)11-2;1-3-2/h4-5,10H,1-3H3;3H2,1-2H3
InChIKeyCSZYBMVMNIWNLA-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methoxy-4-methylphenol
CID 164891079
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
CID 143347390
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
CID 174529092
CID 174529092
3-isocyanato-2-methoxy-4-methylphenol
CID 88681062
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
4-chloro-2-methoxy-3-methylphenol
CID 124706065
ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
3-ethenyl-4-ethyl-2-methoxyphenol
CID 174818849

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-methylphenol;propane?
The IUPAC name of 2,3-dimethoxy-4-methylphenol;propane (CID 143012581) is 2,3-dimethoxy-4-methylphenol;propane.
What is the SMILES notation for 2,3-dimethoxy-4-methylphenol;propane?
The canonical SMILES for 2,3-dimethoxy-4-methylphenol;propane is CCC.COc1c(C)ccc(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-4-methylphenol;propane?
The InChIKey is CSZYBMVMNIWNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C3H8/c1-6-4-5-7(10)9(12-3)8(6)11-2;1-3-2/h4-5,10H,1-3H3;3H2,1-2H3.
What are the key properties of 2,3-dimethoxy-4-methylphenol;propane?
2,3-dimethoxy-4-methylphenol;propane has a molecular weight of 212.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-methylphenol;propane is sourced from PubChem (CID 143012581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).