2-(3-methoxypropoxy)-4-methylphenol

C11H16O3 — CID 59224290

IUPAC2-(3-methoxypropoxy)-4-methylphenol
SMILESCOCCCOc1cc(C)ccc1O
InChIInChI=1S/C11H16O3/c1-9-4-5-10(12)11(8-9)14-7-3-6-13-2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyQUFJLHKACTYJJO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.12
Rot. Bonds5

About 2-(3-methoxypropoxy)-4-methylphenol

2-(3-methoxypropoxy)-4-methylphenol (PubChem CID 59224290) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-4-methylphenol.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-4-methylphenol
PubChem CID59224290
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(3-methoxypropoxy)-4-methylphenol
SMILESCOCCCOc1cc(C)ccc1O
InChIInChI=1S/C11H16O3/c1-9-4-5-10(12)11(8-9)14-7-3-6-13-2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyQUFJLHKACTYJJO-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.12
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

4-methyl-2-tetradecoxyphenol
CID 19014152
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
CID 66907182
4-methyl-2-prop-2-ynoxyphenol
CID 130032474
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-4-methylphenol?
The IUPAC name of 2-(3-methoxypropoxy)-4-methylphenol (CID 59224290) is 2-(3-methoxypropoxy)-4-methylphenol.
What is the SMILES notation for 2-(3-methoxypropoxy)-4-methylphenol?
The canonical SMILES for 2-(3-methoxypropoxy)-4-methylphenol is COCCCOc1cc(C)ccc1O.
What is the InChIKey of 2-(3-methoxypropoxy)-4-methylphenol?
The InChIKey is QUFJLHKACTYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-4-5-10(12)11(8-9)14-7-3-6-13-2/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)-4-methylphenol?
2-(3-methoxypropoxy)-4-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-4-methylphenol is sourced from PubChem (CID 59224290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).