2-ethyl-5-propylphenol

C11H16O — CID 522454

IUPAC2-ethyl-5-propylphenol
SMILESCCCc1ccc(CC)c(O)c1
InChIInChI=1S/C11H16O/c1-3-5-9-6-7-10(4-2)11(12)8-9/h6-8,12H,3-5H2,1-2H3
InChIKeyOSQMMONNVPMEIO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.91
Rot. Bonds3

About 2-ethyl-5-propylphenol

2-ethyl-5-propylphenol (PubChem CID 522454) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-ethyl-5-propylphenol.

Molecular Properties

Compound Name2-ethyl-5-propylphenol
PubChem CID522454
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-ethyl-5-propylphenol
SMILESCCCc1ccc(CC)c(O)c1
InChIInChI=1S/C11H16O/c1-3-5-9-6-7-10(4-2)11(12)8-9/h6-8,12H,3-5H2,1-2H3
InChIKeyOSQMMONNVPMEIO-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
2-ethyl-5-nonylphenol
CID 54394722
1,2-diethyl-4-propylbenzene
CID 54363919
5-(bromomethyl)-2-ethylphenol
CID 171653921
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
2-butyl-5-pentadecylphenol
CID 175271686
2-methylsulfonyl-5-propylphenol
CID 174640128
4-ethylbenzene-1,3-diol
CID 17927
2-(aminomethyl)-4-propylphenol
CID 12652118
5-butyl-2-(2-methylpropyl)phenol
CID 69337414
2,5-dipropylbenzoic acid
CID 139904729

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propylphenol?
The IUPAC name of 2-ethyl-5-propylphenol (CID 522454) is 2-ethyl-5-propylphenol.
What is the SMILES notation for 2-ethyl-5-propylphenol?
The canonical SMILES for 2-ethyl-5-propylphenol is CCCc1ccc(CC)c(O)c1.
What is the InChIKey of 2-ethyl-5-propylphenol?
The InChIKey is OSQMMONNVPMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-9-6-7-10(4-2)11(12)8-9/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-5-propylphenol?
2-ethyl-5-propylphenol has a molecular weight of 164.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propylphenol is sourced from PubChem (CID 522454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).