2-methyl-4-(6-methylheptyl)phenol

C15H24O — CID 154140199

IUPAC2-methyl-4-(6-methylheptyl)phenol
SMILESCc1cc(CCCCCC(C)C)ccc1O
InChIInChI=1S/C15H24O/c1-12(2)7-5-4-6-8-14-9-10-15(16)13(3)11-14/h9-12,16H,4-8H2,1-3H3
InChIKeyOSOWARKOIYXKPX-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds6

About 2-methyl-4-(6-methylheptyl)phenol

2-methyl-4-(6-methylheptyl)phenol (PubChem CID 154140199) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-4-(6-methylheptyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(6-methylheptyl)phenol
PubChem CID154140199
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-4-(6-methylheptyl)phenol
SMILESCc1cc(CCCCCC(C)C)ccc1O
InChIInChI=1S/C15H24O/c1-12(2)7-5-4-6-8-14-9-10-15(16)13(3)11-14/h9-12,16H,4-8H2,1-3H3
InChIKeyOSOWARKOIYXKPX-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-octadecylphenol
CID 3022311
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-hydroxy-5-(10-methylundecyl)benzoic acid
CID 22256247
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-(10-methylundecyl)-2-prop-1-enylphenol
CID 54563182
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-butyl-2-methylphenol
CID 10964856
2-(6-methylheptyl)benzene-1,3,5-triol
CID 22165808
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
2-[2-methyl-4-(6-methylheptyl)phenoxy]acetic acid
CID 175457388
CID 140580608
CID 140580608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methylheptyl)phenol?
The IUPAC name of 2-methyl-4-(6-methylheptyl)phenol (CID 154140199) is 2-methyl-4-(6-methylheptyl)phenol.
What is the SMILES notation for 2-methyl-4-(6-methylheptyl)phenol?
The canonical SMILES for 2-methyl-4-(6-methylheptyl)phenol is Cc1cc(CCCCCC(C)C)ccc1O.
What is the InChIKey of 2-methyl-4-(6-methylheptyl)phenol?
The InChIKey is OSOWARKOIYXKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)7-5-4-6-8-14-9-10-15(16)13(3)11-14/h9-12,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-4-(6-methylheptyl)phenol?
2-methyl-4-(6-methylheptyl)phenol has a molecular weight of 220.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methylheptyl)phenol is sourced from PubChem (CID 154140199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).