3-(2,4,4-trimethylpentan-2-yloxy)phenol

C14H22O2 — CID 70403468

IUPAC3-(2,4,4-trimethylpentan-2-yloxy)phenol
SMILESCC(C)(C)CC(C)(C)Oc1cccc(O)c1
InChIInChI=1S/C14H22O2/c1-13(2,3)10-14(4,5)16-12-8-6-7-11(15)9-12/h6-9,15H,10H2,1-5H3
InChIKeyRLZVTGSFLYJNFI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.99
Rot. Bonds3

About 3-(2,4,4-trimethylpentan-2-yloxy)phenol

3-(2,4,4-trimethylpentan-2-yloxy)phenol (PubChem CID 70403468) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(2,4,4-trimethylpentan-2-yloxy)phenol.

Molecular Properties

Compound Name3-(2,4,4-trimethylpentan-2-yloxy)phenol
PubChem CID70403468
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-(2,4,4-trimethylpentan-2-yloxy)phenol
SMILESCC(C)(C)CC(C)(C)Oc1cccc(O)c1
InChIInChI=1S/C14H22O2/c1-13(2,3)10-14(4,5)16-12-8-6-7-11(15)9-12/h6-9,15H,10H2,1-5H3
InChIKeyRLZVTGSFLYJNFI-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4-trimethylpentan-2-yloxy)phenol?
The IUPAC name of 3-(2,4,4-trimethylpentan-2-yloxy)phenol (CID 70403468) is 3-(2,4,4-trimethylpentan-2-yloxy)phenol.
What is the SMILES notation for 3-(2,4,4-trimethylpentan-2-yloxy)phenol?
The canonical SMILES for 3-(2,4,4-trimethylpentan-2-yloxy)phenol is CC(C)(C)CC(C)(C)Oc1cccc(O)c1.
What is the InChIKey of 3-(2,4,4-trimethylpentan-2-yloxy)phenol?
The InChIKey is RLZVTGSFLYJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2,3)10-14(4,5)16-12-8-6-7-11(15)9-12/h6-9,15H,10H2,1-5H3.
What are the key properties of 3-(2,4,4-trimethylpentan-2-yloxy)phenol?
3-(2,4,4-trimethylpentan-2-yloxy)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4-trimethylpentan-2-yloxy)phenol is sourced from PubChem (CID 70403468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).