2-methoxy-4-(tetradecoxymethyl)phenol

C22H38O3 — CID 15468909

IUPAC2-methoxy-4-(tetradecoxymethyl)phenol
SMILESCCCCCCCCCCCCCCOCc1ccc(O)c(OC)c1
InChIInChI=1S/C22H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-19-20-15-16-21(23)22(18-20)24-2/h15-16,18,23H,3-14,17,19H2,1-2H3
InChIKeyCFHOLCRIBBJLBJ-UHFFFAOYSA-N
MW350.54 g/mol
LogP6.62
Rot. Bonds16

About 2-methoxy-4-(tetradecoxymethyl)phenol

2-methoxy-4-(tetradecoxymethyl)phenol (PubChem CID 15468909) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is 2-methoxy-4-(tetradecoxymethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(tetradecoxymethyl)phenol
PubChem CID15468909
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name2-methoxy-4-(tetradecoxymethyl)phenol
SMILESCCCCCCCCCCCCCCOCc1ccc(O)c(OC)c1
InChIInChI=1S/C22H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-19-20-15-16-21(23)22(18-20)24-2/h15-16,18,23H,3-14,17,19H2,1-2H3
InChIKeyCFHOLCRIBBJLBJ-UHFFFAOYSA-N
XLogP6.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790332
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
2-methoxy-5-(octoxymethyl)benzenecarbothioamide
CID 65344193
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(tetradecoxymethyl)phenol?
The IUPAC name of 2-methoxy-4-(tetradecoxymethyl)phenol (CID 15468909) is 2-methoxy-4-(tetradecoxymethyl)phenol.
What is the SMILES notation for 2-methoxy-4-(tetradecoxymethyl)phenol?
The canonical SMILES for 2-methoxy-4-(tetradecoxymethyl)phenol is CCCCCCCCCCCCCCOCc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(tetradecoxymethyl)phenol?
The InChIKey is CFHOLCRIBBJLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-19-20-15-16-21(23)22(18-20)24-2/h15-16,18,23H,3-14,17,19H2,1-2H3.
What are the key properties of 2-methoxy-4-(tetradecoxymethyl)phenol?
2-methoxy-4-(tetradecoxymethyl)phenol has a molecular weight of 350.54 g/mol, XLogP of 6.62, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(tetradecoxymethyl)phenol is sourced from PubChem (CID 15468909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).