4-(2-butoxyethoxymethyl)-2-methoxyphenol

C14H22O4 — CID 139805513

IUPAC4-(2-butoxyethoxymethyl)-2-methoxyphenol
SMILESCCCCOCCOCc1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O4/c1-3-4-7-17-8-9-18-11-12-5-6-13(15)14(10-12)16-2/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyRHAMZFHCRCMJRH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.73
Rot. Bonds9

About 4-(2-butoxyethoxymethyl)-2-methoxyphenol

4-(2-butoxyethoxymethyl)-2-methoxyphenol (PubChem CID 139805513) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(2-butoxyethoxymethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-butoxyethoxymethyl)-2-methoxyphenol
PubChem CID139805513
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-(2-butoxyethoxymethyl)-2-methoxyphenol
SMILESCCCCOCCOCc1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O4/c1-3-4-7-17-8-9-18-11-12-5-6-13(15)14(10-12)16-2/h5-6,10,15H,3-4,7-9,11H2,1-2H3
InChIKeyRHAMZFHCRCMJRH-UHFFFAOYSA-N
XLogP2.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
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-(2-butoxyethoxymethyl)-2-methoxyphenol?
The IUPAC name of 4-(2-butoxyethoxymethyl)-2-methoxyphenol (CID 139805513) is 4-(2-butoxyethoxymethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-butoxyethoxymethyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-butoxyethoxymethyl)-2-methoxyphenol is CCCCOCCOCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-(2-butoxyethoxymethyl)-2-methoxyphenol?
The InChIKey is RHAMZFHCRCMJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-4-7-17-8-9-18-11-12-5-6-13(15)14(10-12)16-2/h5-6,10,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of 4-(2-butoxyethoxymethyl)-2-methoxyphenol?
4-(2-butoxyethoxymethyl)-2-methoxyphenol has a molecular weight of 254.33 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxymethyl)-2-methoxyphenol is sourced from PubChem (CID 139805513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).