4-ethyl-3-methyl-5-propylphenol

C12H18O — CID 174651080

IUPAC4-ethyl-3-methyl-5-propylphenol
SMILESCCCc1cc(O)cc(C)c1CC
InChIInChI=1S/C12H18O/c1-4-6-10-8-11(13)7-9(3)12(10)5-2/h7-8,13H,4-6H2,1-3H3
InChIKeyKVXALMKNPOLYLZ-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.22
Rot. Bonds3

About 4-ethyl-3-methyl-5-propylphenol

4-ethyl-3-methyl-5-propylphenol (PubChem CID 174651080) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-propylphenol.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-propylphenol
PubChem CID174651080
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-ethyl-3-methyl-5-propylphenol
SMILESCCCc1cc(O)cc(C)c1CC
InChIInChI=1S/C12H18O/c1-4-6-10-8-11(13)7-9(3)12(10)5-2/h7-8,13H,4-6H2,1-3H3
InChIKeyKVXALMKNPOLYLZ-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

2-methyl-6-propylbenzene-1,4-diol
CID 11708116
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
4-[(dimethylamino)methyl]-3-ethyl-5-methylphenol
CID 130033656
4,6-dipropylbenzene-1,3-diol
CID 70496109
1-(4-hydroxy-2,6-dimethylphenyl)heptane-3,4-diol
CID 112717371
3-butyl-6-ethyl-4-propylbenzene-1,2-diol
CID 87876350
2-propylbenzene-1,3,5-triol
CID 13411724
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
2,3-dibutyl-4,5-diethylphenol
CID 139832191
6-fluoro-5-propylpyridin-3-ol
CID 19082026
2,3-diethyl-4-propyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-triene
CID 141069548

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5-propylphenol?
The IUPAC name of 4-ethyl-3-methyl-5-propylphenol (CID 174651080) is 4-ethyl-3-methyl-5-propylphenol.
What is the SMILES notation for 4-ethyl-3-methyl-5-propylphenol?
The canonical SMILES for 4-ethyl-3-methyl-5-propylphenol is CCCc1cc(O)cc(C)c1CC.
What is the InChIKey of 4-ethyl-3-methyl-5-propylphenol?
The InChIKey is KVXALMKNPOLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-6-10-8-11(13)7-9(3)12(10)5-2/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-3-methyl-5-propylphenol?
4-ethyl-3-methyl-5-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 4-ethyl-3-methyl-5-propylphenol is sourced from PubChem (CID 174651080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).