4-(butan-2-yloxymethyl)-2-methoxyphenol

C12H18O3 — CID 11206597

IUPAC4-(butan-2-yloxymethyl)-2-methoxyphenol
SMILESCCC(C)OCc1ccc(O)c(OC)c1
InChIInChI=1S/C12H18O3/c1-4-9(2)15-8-10-5-6-11(13)12(7-10)14-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyRRKAEGNDXMDBOM-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.72
Rot. Bonds5

About 4-(butan-2-yloxymethyl)-2-methoxyphenol

4-(butan-2-yloxymethyl)-2-methoxyphenol (PubChem CID 11206597) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(butan-2-yloxymethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(butan-2-yloxymethyl)-2-methoxyphenol
PubChem CID11206597
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(butan-2-yloxymethyl)-2-methoxyphenol
SMILESCCC(C)OCc1ccc(O)c(OC)c1
InChIInChI=1S/C12H18O3/c1-4-9(2)15-8-10-5-6-11(13)12(7-10)14-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyRRKAEGNDXMDBOM-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(butan-2-yloxymethyl)-2-methoxybenzonitrile
CID 106788590
dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
CID 171933866
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
4-(ethoxymethoxymethyl)-2-methoxyphenol
CID 46944567
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-yloxymethyl)-2-methoxyphenol?
The IUPAC name of 4-(butan-2-yloxymethyl)-2-methoxyphenol (CID 11206597) is 4-(butan-2-yloxymethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(butan-2-yloxymethyl)-2-methoxyphenol?
The canonical SMILES for 4-(butan-2-yloxymethyl)-2-methoxyphenol is CCC(C)OCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-(butan-2-yloxymethyl)-2-methoxyphenol?
The InChIKey is RRKAEGNDXMDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-9(2)15-8-10-5-6-11(13)12(7-10)14-3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of 4-(butan-2-yloxymethyl)-2-methoxyphenol?
4-(butan-2-yloxymethyl)-2-methoxyphenol has a molecular weight of 210.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-yloxymethyl)-2-methoxyphenol is sourced from PubChem (CID 11206597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).