2-(3,5-dimethylphenyl)-3-methylhexan-2-ol

C15H24O — CID 107892756

IUPAC2-(3,5-dimethylphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24O/c1-6-7-13(4)15(5,16)14-9-11(2)8-12(3)10-14/h8-10,13,16H,6-7H2,1-5H3
InChIKeyBIBOVZCRBMZCEN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.95
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol

2-(3,5-dimethylphenyl)-3-methylhexan-2-ol (PubChem CID 107892756) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3-methylhexan-2-ol
PubChem CID107892756
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(3,5-dimethylphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24O/c1-6-7-13(4)15(5,16)14-9-11(2)8-12(3)10-14/h8-10,13,16H,6-7H2,1-5H3
InChIKeyBIBOVZCRBMZCEN-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol?
The IUPAC name of 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol (CID 107892756) is 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol is CCCC(C)C(C)(O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol?
The InChIKey is BIBOVZCRBMZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-7-13(4)15(5,16)14-9-11(2)8-12(3)10-14/h8-10,13,16H,6-7H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol?
2-(3,5-dimethylphenyl)-3-methylhexan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 107892756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).