2-methyl-5-(4-methylpentyl)phenol

C13H20O — CID 163753923

IUPAC2-methyl-5-(4-methylpentyl)phenol
SMILESCc1ccc(CCCC(C)C)cc1O
InChIInChI=1S/C13H20O/c1-10(2)5-4-6-12-8-7-11(3)13(14)9-12/h7-10,14H,4-6H2,1-3H3
InChIKeyJIIRTOPRFLLOGE-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.68
Rot. Bonds4

About 2-methyl-5-(4-methylpentyl)phenol

2-methyl-5-(4-methylpentyl)phenol (PubChem CID 163753923) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpentyl)phenol.

Molecular Properties

Compound Name2-methyl-5-(4-methylpentyl)phenol
PubChem CID163753923
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-5-(4-methylpentyl)phenol
SMILESCc1ccc(CCCC(C)C)cc1O
InChIInChI=1S/C13H20O/c1-10(2)5-4-6-12-8-7-11(3)13(14)9-12/h7-10,14H,4-6H2,1-3H3
InChIKeyJIIRTOPRFLLOGE-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
CID 175900742
CID 175900742
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
CID 118351548
2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
CID 71369401
2-(4-methylpentyl)anthracene-9,10-diol
CID 86254465
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
4-(4-methylpentyl)phenol;phenol
CID 174866001
5-(2-hydroxy-3-methylbutyl)-2-methylphenol
CID 129174198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpentyl)phenol?
The IUPAC name of 2-methyl-5-(4-methylpentyl)phenol (CID 163753923) is 2-methyl-5-(4-methylpentyl)phenol.
What is the SMILES notation for 2-methyl-5-(4-methylpentyl)phenol?
The canonical SMILES for 2-methyl-5-(4-methylpentyl)phenol is Cc1ccc(CCCC(C)C)cc1O.
What is the InChIKey of 2-methyl-5-(4-methylpentyl)phenol?
The InChIKey is JIIRTOPRFLLOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)5-4-6-12-8-7-11(3)13(14)9-12/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-(4-methylpentyl)phenol?
2-methyl-5-(4-methylpentyl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpentyl)phenol is sourced from PubChem (CID 163753923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).