2-methyl-6-(2-methylhexan-3-yl)phenol

C14H22O — CID 69129229

IUPAC2-methyl-6-(2-methylhexan-3-yl)phenol
SMILESCCCC(c1cccc(C)c1O)C(C)C
InChIInChI=1S/C14H22O/c1-5-7-12(10(2)3)13-9-6-8-11(4)14(13)15/h6,8-10,12,15H,5,7H2,1-4H3
InChIKeyJOTCTLRWERZTLF-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.24
Rot. Bonds4

About 2-methyl-6-(2-methylhexan-3-yl)phenol

2-methyl-6-(2-methylhexan-3-yl)phenol (PubChem CID 69129229) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-6-(2-methylhexan-3-yl)phenol.

Molecular Properties

Compound Name2-methyl-6-(2-methylhexan-3-yl)phenol
PubChem CID69129229
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-6-(2-methylhexan-3-yl)phenol
SMILESCCCC(c1cccc(C)c1O)C(C)C
InChIInChI=1S/C14H22O/c1-5-7-12(10(2)3)13-9-6-8-11(4)14(13)15/h6,8-10,12,15H,5,7H2,1-4H3
InChIKeyJOTCTLRWERZTLF-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
butane;2,6-dimethylphenol;ethane
CID 143018459
2-methyl-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171294452
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol
CID 14248926
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylhexan-3-yl)phenol?
The IUPAC name of 2-methyl-6-(2-methylhexan-3-yl)phenol (CID 69129229) is 2-methyl-6-(2-methylhexan-3-yl)phenol.
What is the SMILES notation for 2-methyl-6-(2-methylhexan-3-yl)phenol?
The canonical SMILES for 2-methyl-6-(2-methylhexan-3-yl)phenol is CCCC(c1cccc(C)c1O)C(C)C.
What is the InChIKey of 2-methyl-6-(2-methylhexan-3-yl)phenol?
The InChIKey is JOTCTLRWERZTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-7-12(10(2)3)13-9-6-8-11(4)14(13)15/h6,8-10,12,15H,5,7H2,1-4H3.
What are the key properties of 2-methyl-6-(2-methylhexan-3-yl)phenol?
2-methyl-6-(2-methylhexan-3-yl)phenol has a molecular weight of 206.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylhexan-3-yl)phenol is sourced from PubChem (CID 69129229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).