2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol

C18H22O2 — CID 138634865

IUPAC2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
SMILESCCc1ccc(CCc2ccc(CC)c(O)c2)cc1O
InChIInChI=1S/C18H22O2/c1-3-15-9-7-13(11-17(15)19)5-6-14-8-10-16(4-2)18(20)12-14/h7-12,19-20H,3-6H2,1-2H3
InChIKeySIDRQCLCKGDGFN-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.01
Rot. Bonds5

About 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol

2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol (PubChem CID 138634865) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
PubChem CID138634865
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
SMILESCCc1ccc(CCc2ccc(CC)c(O)c2)cc1O
InChIInChI=1S/C18H22O2/c1-3-15-9-7-13(11-17(15)19)5-6-14-8-10-16(4-2)18(20)12-14/h7-12,19-20H,3-6H2,1-2H3
InChIKeySIDRQCLCKGDGFN-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-propylphenol
CID 522454
2-ethyl-5-nonylphenol
CID 54394722
5-(bromomethyl)-2-ethylphenol
CID 171653921
4-ethylbenzene-1,3-diol
CID 17927
ethane;2-ethyl-5-methylphenol
CID 142001660
2-butyl-5-pentadecylphenol
CID 175271686
5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
4,6-bis[2-(3,4-dihydroxyphenyl)ethyl]benzene-1,3-diol
CID 172870403
4-(2,5-diethylphenyl)-5-ethylbenzene-1,2-diol
CID 101302822
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol (CID 138634865) is 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol is CCc1ccc(CCc2ccc(CC)c(O)c2)cc1O.
What is the InChIKey of 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol?
The InChIKey is SIDRQCLCKGDGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-15-9-7-13(11-17(15)19)5-6-14-8-10-16(4-2)18(20)12-14/h7-12,19-20H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol?
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 138634865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).