4-(hexoxymethyl)phenol

C13H20O2 — CID 14816980

IUPAC4-(hexoxymethyl)phenol
SMILESCCCCCCOCc1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-2-3-4-5-10-15-11-12-6-8-13(14)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyGZJVLYHCWVPVCM-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.49
Rot. Bonds7

About 4-(hexoxymethyl)phenol

4-(hexoxymethyl)phenol (PubChem CID 14816980) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(hexoxymethyl)phenol.

Molecular Properties

Compound Name4-(hexoxymethyl)phenol
PubChem CID14816980
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(hexoxymethyl)phenol
SMILESCCCCCCOCc1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-2-3-4-5-10-15-11-12-6-8-13(14)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyGZJVLYHCWVPVCM-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-(chloromethyl)-4-(dodecoxymethyl)benzene
CID 71367802
4-(2-pentoxyethyl)phenol
CID 67806399
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
azane;hexoxymethylbenzene
CID 174805489
[4-(heptoxymethyl)phenyl]-trimethylsilane
CID 103438642
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-hexadecoxyethoxymethylbenzene
CID 19965709
4-(dodecoxymethyl)pyridine
CID 175554630
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
4-(5-propoxypentyl)phenol
CID 175182886

Frequently Asked Questions

What is the IUPAC name of 4-(hexoxymethyl)phenol?
The IUPAC name of 4-(hexoxymethyl)phenol (CID 14816980) is 4-(hexoxymethyl)phenol.
What is the SMILES notation for 4-(hexoxymethyl)phenol?
The canonical SMILES for 4-(hexoxymethyl)phenol is CCCCCCOCc1ccc(O)cc1.
What is the InChIKey of 4-(hexoxymethyl)phenol?
The InChIKey is GZJVLYHCWVPVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-4-5-10-15-11-12-6-8-13(14)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 4-(hexoxymethyl)phenol?
4-(hexoxymethyl)phenol has a molecular weight of 208.30 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexoxymethyl)phenol is sourced from PubChem (CID 14816980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).