4-butan-2-yl-2-(methoxymethyl)phenol;ethane

C14H24O2 — CID 145144521

IUPAC4-butan-2-yl-2-(methoxymethyl)phenol;ethane
SMILESCC.CCC(C)c1ccc(O)c(COC)c1
InChIInChI=1S/C12H18O2.C2H6/c1-4-9(2)10-5-6-12(13)11(7-10)8-14-3;1-2/h5-7,9,13H,4,8H2,1-3H3;1-2H3
InChIKeyIXOMGADKNWEMCH-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.08
Rot. Bonds4

About 4-butan-2-yl-2-(methoxymethyl)phenol;ethane

4-butan-2-yl-2-(methoxymethyl)phenol;ethane (PubChem CID 145144521) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-butan-2-yl-2-(methoxymethyl)phenol;ethane.

Molecular Properties

Compound Name4-butan-2-yl-2-(methoxymethyl)phenol;ethane
PubChem CID145144521
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-butan-2-yl-2-(methoxymethyl)phenol;ethane
SMILESCC.CCC(C)c1ccc(O)c(COC)c1
InChIInChI=1S/C12H18O2.C2H6/c1-4-9(2)10-5-6-12(13)11(7-10)8-14-3;1-2/h5-7,9,13H,4,8H2,1-3H3;1-2H3
InChIKeyIXOMGADKNWEMCH-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-butan-2-ylphenol;hydrochloride
CID 21430763
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2,6-bis(methoxymethyl)phenol
CID 21344501
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 118593439
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene
CID 159281825

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(methoxymethyl)phenol;ethane?
The IUPAC name of 4-butan-2-yl-2-(methoxymethyl)phenol;ethane (CID 145144521) is 4-butan-2-yl-2-(methoxymethyl)phenol;ethane.
What is the SMILES notation for 4-butan-2-yl-2-(methoxymethyl)phenol;ethane?
The canonical SMILES for 4-butan-2-yl-2-(methoxymethyl)phenol;ethane is CC.CCC(C)c1ccc(O)c(COC)c1.
What is the InChIKey of 4-butan-2-yl-2-(methoxymethyl)phenol;ethane?
The InChIKey is IXOMGADKNWEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-4-9(2)10-5-6-12(13)11(7-10)8-14-3;1-2/h5-7,9,13H,4,8H2,1-3H3;1-2H3.
What are the key properties of 4-butan-2-yl-2-(methoxymethyl)phenol;ethane?
4-butan-2-yl-2-(methoxymethyl)phenol;ethane has a molecular weight of 224.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-(methoxymethyl)phenol;ethane is sourced from PubChem (CID 145144521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).