4-(2-propan-2-yloxyethoxymethyl)phenol

C12H18O3 — CID 10219954

IUPAC4-(2-propan-2-yloxyethoxymethyl)phenol
SMILESCC(C)OCCOCc1ccc(O)cc1
InChIInChI=1S/C12H18O3/c1-10(2)15-8-7-14-9-11-3-5-12(13)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyISQLWWCGQXEAJG-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.33
Rot. Bonds6

About 4-(2-propan-2-yloxyethoxymethyl)phenol

4-(2-propan-2-yloxyethoxymethyl)phenol (PubChem CID 10219954) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethoxymethyl)phenol.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethoxymethyl)phenol
PubChem CID10219954
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(2-propan-2-yloxyethoxymethyl)phenol
SMILESCC(C)OCCOCc1ccc(O)cc1
InChIInChI=1S/C12H18O3/c1-10(2)15-8-7-14-9-11-3-5-12(13)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyISQLWWCGQXEAJG-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethoxymethyl)phenol?
The IUPAC name of 4-(2-propan-2-yloxyethoxymethyl)phenol (CID 10219954) is 4-(2-propan-2-yloxyethoxymethyl)phenol.
What is the SMILES notation for 4-(2-propan-2-yloxyethoxymethyl)phenol?
The canonical SMILES for 4-(2-propan-2-yloxyethoxymethyl)phenol is CC(C)OCCOCc1ccc(O)cc1.
What is the InChIKey of 4-(2-propan-2-yloxyethoxymethyl)phenol?
The InChIKey is ISQLWWCGQXEAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(2)15-8-7-14-9-11-3-5-12(13)6-4-11/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyethoxymethyl)phenol?
4-(2-propan-2-yloxyethoxymethyl)phenol has a molecular weight of 210.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethoxymethyl)phenol is sourced from PubChem (CID 10219954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).