2-methyl-3-(4-methylpentyl)phenol

C13H20O — CID 154091292

IUPAC2-methyl-3-(4-methylpentyl)phenol
SMILESCc1c(O)cccc1CCCC(C)C
InChIInChI=1S/C13H20O/c1-10(2)6-4-7-12-8-5-9-13(14)11(12)3/h5,8-10,14H,4,6-7H2,1-3H3
InChIKeyYQIPYJOUFUJBKU-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.68
Rot. Bonds4

About 2-methyl-3-(4-methylpentyl)phenol

2-methyl-3-(4-methylpentyl)phenol (PubChem CID 154091292) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpentyl)phenol.

Molecular Properties

Compound Name2-methyl-3-(4-methylpentyl)phenol
PubChem CID154091292
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-3-(4-methylpentyl)phenol
SMILESCc1c(O)cccc1CCCC(C)C
InChIInChI=1S/C13H20O/c1-10(2)6-4-7-12-8-5-9-13(14)11(12)3/h5,8-10,14H,4,6-7H2,1-3H3
InChIKeyYQIPYJOUFUJBKU-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

3-methyl-2-(4-methylpentyl)phenol
CID 23036638
2,6-bis(6-methylheptyl)phenol
CID 14252215
3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
2-(3-hydroxy-7-methyloctyl)phenol
CID 173316016
1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
4-iodo-5-methyl-2-[2-(4-methylpentyl)phenyl]sulfanylphenol
CID 142025542
3-(2-hydroxy-2-methylpropyl)-2-methylphenol
CID 154515980
5-(3-bromo-2-methylphenyl)pentan-2-amine
CID 83926001
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
7-(4-methylpentyl)-1H-indole
CID 177208716
5-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 177208760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpentyl)phenol?
The IUPAC name of 2-methyl-3-(4-methylpentyl)phenol (CID 154091292) is 2-methyl-3-(4-methylpentyl)phenol.
What is the SMILES notation for 2-methyl-3-(4-methylpentyl)phenol?
The canonical SMILES for 2-methyl-3-(4-methylpentyl)phenol is Cc1c(O)cccc1CCCC(C)C.
What is the InChIKey of 2-methyl-3-(4-methylpentyl)phenol?
The InChIKey is YQIPYJOUFUJBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)6-4-7-12-8-5-9-13(14)11(12)3/h5,8-10,14H,4,6-7H2,1-3H3.
What are the key properties of 2-methyl-3-(4-methylpentyl)phenol?
2-methyl-3-(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-3-(4-methylpentyl)phenol is sourced from PubChem (CID 154091292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).