2-(2-methylhexyl)phenol

C13H20O — CID 70468814

IUPAC2-(2-methylhexyl)phenol
SMILESCCCCC(C)Cc1ccccc1O
InChIInChI=1S/C13H20O/c1-3-4-7-11(2)10-12-8-5-6-9-13(12)14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyIBCCSJIHEACVOE-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.76
Rot. Bonds5

About 2-(2-methylhexyl)phenol

2-(2-methylhexyl)phenol (PubChem CID 70468814) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(2-methylhexyl)phenol.

Molecular Properties

Compound Name2-(2-methylhexyl)phenol
PubChem CID70468814
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(2-methylhexyl)phenol
SMILESCCCCC(C)Cc1ccccc1O
InChIInChI=1S/C13H20O/c1-3-4-7-11(2)10-12-8-5-6-9-13(12)14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyIBCCSJIHEACVOE-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methyltetradecyl)phenol
CID 154276736
2-(2-methylpropyl)phenol;propane
CID 158609255
1-(2-hydroxyphenyl)-2-methylheptan-4-one
CID 83930510
1-(2-methylhexadecyl)naphthalene
CID 139758361
2-(4-fluorooctyl)phenol
CID 70022648
2-(2,4-dimethyldodecyl)benzenethiol
CID 175261112
2-[2-(1-phenylhexoxy)propyl]phenol
CID 67181005
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-[(1-hydroxyhexan-2-ylamino)methyl]phenol
CID 91522535
benzene-1,2-diol;tetrabutylphosphanium;hydroxide
CID 68855891
2-(hydroxymethyl)phenol;pentane
CID 70619203
1-(2-methylheptyl)-2-nitrobenzene
CID 170184203

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhexyl)phenol?
The IUPAC name of 2-(2-methylhexyl)phenol (CID 70468814) is 2-(2-methylhexyl)phenol.
What is the SMILES notation for 2-(2-methylhexyl)phenol?
The canonical SMILES for 2-(2-methylhexyl)phenol is CCCCC(C)Cc1ccccc1O.
What is the InChIKey of 2-(2-methylhexyl)phenol?
The InChIKey is IBCCSJIHEACVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-4-7-11(2)10-12-8-5-6-9-13(12)14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3.
What are the key properties of 2-(2-methylhexyl)phenol?
2-(2-methylhexyl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhexyl)phenol is sourced from PubChem (CID 70468814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).