2,3-bis[(2-ethylphenoxy)methyl]phenol

C24H26O3 — CID 67177980

IUPAC2,3-bis[(2-ethylphenoxy)methyl]phenol
SMILESCCc1ccccc1OCc1cccc(O)c1COc1ccccc1CC
InChIInChI=1S/C24H26O3/c1-3-18-10-5-7-14-23(18)26-16-20-12-9-13-22(25)21(20)17-27-24-15-8-6-11-19(24)4-2/h5-15,25H,3-4,16-17H2,1-2H3
InChIKeyONICHFSQISOXHA-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.68
Rot. Bonds8

About 2,3-bis[(2-ethylphenoxy)methyl]phenol

2,3-bis[(2-ethylphenoxy)methyl]phenol (PubChem CID 67177980) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,3-bis[(2-ethylphenoxy)methyl]phenol.

Molecular Properties

Compound Name2,3-bis[(2-ethylphenoxy)methyl]phenol
PubChem CID67177980
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2,3-bis[(2-ethylphenoxy)methyl]phenol
SMILESCCc1ccccc1OCc1cccc(O)c1COc1ccccc1CC
InChIInChI=1S/C24H26O3/c1-3-18-10-5-7-14-23(18)26-16-20-12-9-13-22(25)21(20)17-27-24-15-8-6-11-19(24)4-2/h5-15,25H,3-4,16-17H2,1-2H3
InChIKeyONICHFSQISOXHA-UHFFFAOYSA-N
XLogP5.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol
CID 122626793
3-ethyl-2-(phenoxymethyl)phenol
CID 174805070
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
2-[(2-ethylphenoxy)methyl]benzoyl chloride
CID 19755754
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
2-(2-ethylphenoxy)benzene-1,3-diol
CID 23109139
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
CID 54149611
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2-ethylphenoxy)methyl]phenol?
The IUPAC name of 2,3-bis[(2-ethylphenoxy)methyl]phenol (CID 67177980) is 2,3-bis[(2-ethylphenoxy)methyl]phenol.
What is the SMILES notation for 2,3-bis[(2-ethylphenoxy)methyl]phenol?
The canonical SMILES for 2,3-bis[(2-ethylphenoxy)methyl]phenol is CCc1ccccc1OCc1cccc(O)c1COc1ccccc1CC.
What is the InChIKey of 2,3-bis[(2-ethylphenoxy)methyl]phenol?
The InChIKey is ONICHFSQISOXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-3-18-10-5-7-14-23(18)26-16-20-12-9-13-22(25)21(20)17-27-24-15-8-6-11-19(24)4-2/h5-15,25H,3-4,16-17H2,1-2H3.
What are the key properties of 2,3-bis[(2-ethylphenoxy)methyl]phenol?
2,3-bis[(2-ethylphenoxy)methyl]phenol has a molecular weight of 362.47 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2-ethylphenoxy)methyl]phenol is sourced from PubChem (CID 67177980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).