4-(butoxymethyl)phenol

C11H16O2 — CID 14251857

IUPAC4-(butoxymethyl)phenol
SMILESCCCCOCc1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3
InChIKeyGGPCJIKQXDNJJY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.71
Rot. Bonds5

About 4-(butoxymethyl)phenol

4-(butoxymethyl)phenol (PubChem CID 14251857) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(butoxymethyl)phenol.

Molecular Properties

Compound Name4-(butoxymethyl)phenol
PubChem CID14251857
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(butoxymethyl)phenol
SMILESCCCCOCc1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3
InChIKeyGGPCJIKQXDNJJY-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(butoxymethyl)phenol?
The IUPAC name of 4-(butoxymethyl)phenol (CID 14251857) is 4-(butoxymethyl)phenol.
What is the SMILES notation for 4-(butoxymethyl)phenol?
The canonical SMILES for 4-(butoxymethyl)phenol is CCCCOCc1ccc(O)cc1.
What is the InChIKey of 4-(butoxymethyl)phenol?
The InChIKey is GGPCJIKQXDNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of 4-(butoxymethyl)phenol?
4-(butoxymethyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)phenol is sourced from PubChem (CID 14251857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).