1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol

C14H22O3 — CID 106680167

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H22O3/c1-5-6-17-9-12(15)14-11(3)7-10(2)8-13(14)16-4/h7-8,12,15H,5-6,9H2,1-4H3
InChIKeyBXNDQBMYZRXNKL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol

1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol (PubChem CID 106680167) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
PubChem CID106680167
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H22O3/c1-5-6-17-9-12(15)14-11(3)7-10(2)8-13(14)16-4/h7-8,12,15H,5-6,9H2,1-4H3
InChIKeyBXNDQBMYZRXNKL-UHFFFAOYSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
CID 106682608
2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106682618
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
CID 106680203
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol (CID 106680167) is 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol is CCCOCC(O)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol?
The InChIKey is BXNDQBMYZRXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-6-17-9-12(15)14-11(3)7-10(2)8-13(14)16-4/h7-8,12,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol?
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol has a molecular weight of 238.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol is sourced from PubChem (CID 106680167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).