4-(butoxymethyl)-2-methoxyphenol;ethanol

C14H24O4 — CID 66730782

IUPAC4-(butoxymethyl)-2-methoxyphenol;ethanol
SMILESCCCCOCc1ccc(O)c(OC)c1.CCO
InChIInChI=1S/C12H18O3.C2H6O/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2;1-2-3/h5-6,8,13H,3-4,7,9H2,1-2H3;3H,2H2,1H3
InChIKeyYPZUCAZLJTXGEE-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.72
Rot. Bonds6

About 4-(butoxymethyl)-2-methoxyphenol;ethanol

4-(butoxymethyl)-2-methoxyphenol;ethanol (PubChem CID 66730782) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(butoxymethyl)-2-methoxyphenol;ethanol.

Molecular Properties

Compound Name4-(butoxymethyl)-2-methoxyphenol;ethanol
PubChem CID66730782
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-(butoxymethyl)-2-methoxyphenol;ethanol
SMILESCCCCOCc1ccc(O)c(OC)c1.CCO
InChIInChI=1S/C12H18O3.C2H6O/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2;1-2-3/h5-6,8,13H,3-4,7,9H2,1-2H3;3H,2H2,1H3
InChIKeyYPZUCAZLJTXGEE-UHFFFAOYSA-N
XLogP2.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
4-(ethoxymethoxymethyl)-2-methoxyphenol
CID 46944567
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
4-butoxy-2-methoxyphenol
CID 53249740
4-(butoxymethyl)-2-methoxy-1-nitrobenzene
CID 91724481

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-2-methoxyphenol;ethanol?
The IUPAC name of 4-(butoxymethyl)-2-methoxyphenol;ethanol (CID 66730782) is 4-(butoxymethyl)-2-methoxyphenol;ethanol.
What is the SMILES notation for 4-(butoxymethyl)-2-methoxyphenol;ethanol?
The canonical SMILES for 4-(butoxymethyl)-2-methoxyphenol;ethanol is CCCCOCc1ccc(O)c(OC)c1.CCO.
What is the InChIKey of 4-(butoxymethyl)-2-methoxyphenol;ethanol?
The InChIKey is YPZUCAZLJTXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C2H6O/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2;1-2-3/h5-6,8,13H,3-4,7,9H2,1-2H3;3H,2H2,1H3.
What are the key properties of 4-(butoxymethyl)-2-methoxyphenol;ethanol?
4-(butoxymethyl)-2-methoxyphenol;ethanol has a molecular weight of 256.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-2-methoxyphenol;ethanol is sourced from PubChem (CID 66730782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).