3,4-bis(ethoxymethyl)phenol

C12H18O3 — CID 175162905

IUPAC3,4-bis(ethoxymethyl)phenol
SMILESCCOCc1ccc(O)cc1COCC
InChIInChI=1S/C12H18O3/c1-3-14-8-10-5-6-12(13)7-11(10)9-15-4-2/h5-7,13H,3-4,8-9H2,1-2H3
InChIKeyJHYBWAWLHLLHGV-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.47
Rot. Bonds6

About 3,4-bis(ethoxymethyl)phenol

3,4-bis(ethoxymethyl)phenol (PubChem CID 175162905) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,4-bis(ethoxymethyl)phenol.

Molecular Properties

Compound Name3,4-bis(ethoxymethyl)phenol
PubChem CID175162905
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3,4-bis(ethoxymethyl)phenol
SMILESCCOCc1ccc(O)cc1COCC
InChIInChI=1S/C12H18O3/c1-3-14-8-10-5-6-12(13)7-11(10)9-15-4-2/h5-7,13H,3-4,8-9H2,1-2H3
InChIKeyJHYBWAWLHLLHGV-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685
3-bromo-4-(ethoxymethyl)phenol
CID 117219830
2-(ethoxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
CID 155543166
4-(ethoxymethyl)naphthalen-1-ol
CID 90487839
4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809
4-ethylbenzene-1,3-diol
CID 17927
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
2-(ethoxymethyl)-5-methylbenzoic acid
CID 117221377
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
3-(bromomethyl)-4-ethoxyphenol
CID 141197912
[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane
CID 87969572
2-(ethoxymethyl)-1-methylindol-5-ol
CID 117176887

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethoxymethyl)phenol?
The IUPAC name of 3,4-bis(ethoxymethyl)phenol (CID 175162905) is 3,4-bis(ethoxymethyl)phenol.
What is the SMILES notation for 3,4-bis(ethoxymethyl)phenol?
The canonical SMILES for 3,4-bis(ethoxymethyl)phenol is CCOCc1ccc(O)cc1COCC.
What is the InChIKey of 3,4-bis(ethoxymethyl)phenol?
The InChIKey is JHYBWAWLHLLHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-14-8-10-5-6-12(13)7-11(10)9-15-4-2/h5-7,13H,3-4,8-9H2,1-2H3.
What are the key properties of 3,4-bis(ethoxymethyl)phenol?
3,4-bis(ethoxymethyl)phenol has a molecular weight of 210.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethoxymethyl)phenol is sourced from PubChem (CID 175162905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).