4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol

C17H28O2 — CID 71234769

IUPAC4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol
SMILESCC(C)(C)C(CO)C(c1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-16(2,3)14(11-18)15(17(4,5)6)12-7-9-13(19)10-8-12/h7-10,14-15,18-19H,11H2,1-6H3
InChIKeyWNZWGBMETFHCLF-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.18
Rot. Bonds3

About 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol

4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol (PubChem CID 71234769) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol
PubChem CID71234769
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol
SMILESCC(C)(C)C(CO)C(c1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-16(2,3)14(11-18)15(17(4,5)6)12-7-9-13(19)10-8-12/h7-10,14-15,18-19H,11H2,1-6H3
InChIKeyWNZWGBMETFHCLF-UHFFFAOYSA-N
XLogP4.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol?
The IUPAC name of 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol (CID 71234769) is 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol?
The canonical SMILES for 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol is CC(C)(C)C(CO)C(c1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol?
The InChIKey is WNZWGBMETFHCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-16(2,3)14(11-18)15(17(4,5)6)12-7-9-13(19)10-8-12/h7-10,14-15,18-19H,11H2,1-6H3.
What are the key properties of 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol?
4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol has a molecular weight of 264.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol is sourced from PubChem (CID 71234769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).