4-(2,3,4-trimethylhexan-3-yl)phenol

C15H24O — CID 91753334

IUPAC4-(2,3,4-trimethylhexan-3-yl)phenol
SMILESCCC(C)C(C)(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H24O/c1-6-12(4)15(5,11(2)3)13-7-9-14(16)10-8-13/h7-12,16H,6H2,1-5H3
InChIKeyDWSXBIHYGAKODI-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.35
Rot. Bonds4

About 4-(2,3,4-trimethylhexan-3-yl)phenol

4-(2,3,4-trimethylhexan-3-yl)phenol (PubChem CID 91753334) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(2,3,4-trimethylhexan-3-yl)phenol.

Molecular Properties

Compound Name4-(2,3,4-trimethylhexan-3-yl)phenol
PubChem CID91753334
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(2,3,4-trimethylhexan-3-yl)phenol
SMILESCCC(C)C(C)(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C15H24O/c1-6-12(4)15(5,11(2)3)13-7-9-14(16)10-8-13/h7-12,16H,6H2,1-5H3
InChIKeyDWSXBIHYGAKODI-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trimethylhexan-3-yl)phenol?
The IUPAC name of 4-(2,3,4-trimethylhexan-3-yl)phenol (CID 91753334) is 4-(2,3,4-trimethylhexan-3-yl)phenol.
What is the SMILES notation for 4-(2,3,4-trimethylhexan-3-yl)phenol?
The canonical SMILES for 4-(2,3,4-trimethylhexan-3-yl)phenol is CCC(C)C(C)(c1ccc(O)cc1)C(C)C.
What is the InChIKey of 4-(2,3,4-trimethylhexan-3-yl)phenol?
The InChIKey is DWSXBIHYGAKODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-12(4)15(5,11(2)3)13-7-9-14(16)10-8-13/h7-12,16H,6H2,1-5H3.
What are the key properties of 4-(2,3,4-trimethylhexan-3-yl)phenol?
4-(2,3,4-trimethylhexan-3-yl)phenol has a molecular weight of 220.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trimethylhexan-3-yl)phenol is sourced from PubChem (CID 91753334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).