4-tert-butyl-2,6-bis(methoxymethyl)phenol

C14H22O3 — CID 22336618

IUPAC4-tert-butyl-2,6-bis(methoxymethyl)phenol
SMILESCOCc1cc(C(C)(C)C)cc(COC)c1O
InChIInChI=1S/C14H22O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6-7,15H,8-9H2,1-5H3
InChIKeySHDBJOYDLRRTRA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.98
Rot. Bonds4

About 4-tert-butyl-2,6-bis(methoxymethyl)phenol

4-tert-butyl-2,6-bis(methoxymethyl)phenol (PubChem CID 22336618) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(methoxymethyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(methoxymethyl)phenol
PubChem CID22336618
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-tert-butyl-2,6-bis(methoxymethyl)phenol
SMILESCOCc1cc(C(C)(C)C)cc(COC)c1O
InChIInChI=1S/C14H22O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6-7,15H,8-9H2,1-5H3
InChIKeySHDBJOYDLRRTRA-UHFFFAOYSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(methoxymethyl)phenol?
The IUPAC name of 4-tert-butyl-2,6-bis(methoxymethyl)phenol (CID 22336618) is 4-tert-butyl-2,6-bis(methoxymethyl)phenol.
What is the SMILES notation for 4-tert-butyl-2,6-bis(methoxymethyl)phenol?
The canonical SMILES for 4-tert-butyl-2,6-bis(methoxymethyl)phenol is COCc1cc(C(C)(C)C)cc(COC)c1O.
What is the InChIKey of 4-tert-butyl-2,6-bis(methoxymethyl)phenol?
The InChIKey is SHDBJOYDLRRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 4-tert-butyl-2,6-bis(methoxymethyl)phenol?
4-tert-butyl-2,6-bis(methoxymethyl)phenol has a molecular weight of 238.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis(methoxymethyl)phenol is sourced from PubChem (CID 22336618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).