2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol

C19H24O2 — CID 122626793

IUPAC2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol
SMILESCCc1ccc(OCc2c(O)cccc2CC)c(CC)c1
InChIInChI=1S/C19H24O2/c1-4-14-10-11-19(16(6-3)12-14)21-13-17-15(5-2)8-7-9-18(17)20/h7-12,20H,4-6,13H2,1-3H3
InChIKeyBYZMMRABUGUIIF-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.66
Rot. Bonds6

About 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol

2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol (PubChem CID 122626793) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol.

Molecular Properties

Compound Name2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol
PubChem CID122626793
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol
SMILESCCc1ccc(OCc2c(O)cccc2CC)c(CC)c1
InChIInChI=1S/C19H24O2/c1-4-14-10-11-19(16(6-3)12-14)21-13-17-15(5-2)8-7-9-18(17)20/h7-12,20H,4-6,13H2,1-3H3
InChIKeyBYZMMRABUGUIIF-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-methyl N-[2-[(2,4-diethylphenoxy)methyl]-3-ethylphenyl]carbamothioate
CID 126588081
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980
3-ethyl-2-(phenoxymethyl)phenol
CID 174805070
N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589342
S-methyl N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126587843
S-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] N-methylcarbamothioate
CID 122626847
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethylphenyl]carbamate
CID 126588372
1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
CID 67069225
5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol
CID 12708586
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol?
The IUPAC name of 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol (CID 122626793) is 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol.
What is the SMILES notation for 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol?
The canonical SMILES for 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol is CCc1ccc(OCc2c(O)cccc2CC)c(CC)c1.
What is the InChIKey of 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol?
The InChIKey is BYZMMRABUGUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-14-10-11-19(16(6-3)12-14)21-13-17-15(5-2)8-7-9-18(17)20/h7-12,20H,4-6,13H2,1-3H3.
What are the key properties of 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol?
2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol has a molecular weight of 284.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol is sourced from PubChem (CID 122626793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).