2-ethyl-4-methyl-6-propylphenol

C12H18O — CID 66879780

IUPAC2-ethyl-4-methyl-6-propylphenol
SMILESCCCc1cc(C)cc(CC)c1O
InChIInChI=1S/C12H18O/c1-4-6-11-8-9(3)7-10(5-2)12(11)13/h7-8,13H,4-6H2,1-3H3
InChIKeyFHNYYGOJPPQFTP-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.22
Rot. Bonds3

About 2-ethyl-4-methyl-6-propylphenol

2-ethyl-4-methyl-6-propylphenol (PubChem CID 66879780) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-propylphenol.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-propylphenol
PubChem CID66879780
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-ethyl-4-methyl-6-propylphenol
SMILESCCCc1cc(C)cc(CC)c1O
InChIInChI=1S/C12H18O/c1-4-6-11-8-9(3)7-10(5-2)12(11)13/h7-8,13H,4-6H2,1-3H3
InChIKeyFHNYYGOJPPQFTP-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2,6-dipropylphenol
CID 66879596
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol
CID 139743493
4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol
CID 68581475
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
3-butyl-6-ethyl-4-propylbenzene-1,2-diol
CID 87876350
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-propylphenol?
The IUPAC name of 2-ethyl-4-methyl-6-propylphenol (CID 66879780) is 2-ethyl-4-methyl-6-propylphenol.
What is the SMILES notation for 2-ethyl-4-methyl-6-propylphenol?
The canonical SMILES for 2-ethyl-4-methyl-6-propylphenol is CCCc1cc(C)cc(CC)c1O.
What is the InChIKey of 2-ethyl-4-methyl-6-propylphenol?
The InChIKey is FHNYYGOJPPQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-6-11-8-9(3)7-10(5-2)12(11)13/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-6-propylphenol?
2-ethyl-4-methyl-6-propylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-propylphenol is sourced from PubChem (CID 66879780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).